PubChemLite - (1,2-dioxoethylene)bis(iminoethylene) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate) (C40H60N2O8)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCCNC(=O)C(=O)NCCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C40H60N2O8/c1-37(2,3)27-21-25(22-28(33(27)45)38(4,5)6)13-15-31(43)49-19-17-41-35(47)36(48)42-18-20-50-32(44)16-14-26-23-29(39(7,8)9)34(46)30(24-26)40(10,11)12/h21-24,45-46H,13-20H2,1-12H3,(H,41,47)(H,42,48)

InChIKey

OXWDLAHVJDUQJM-UHFFFAOYSA-N

Compound name

2-[[2-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethylamino]-2-oxoacetyl]amino]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	697.44222	233.8
[M+Na]+	719.42416	242.5
[M-H]-	695.42766	243.3
[M+NH4]+	714.46876	244.2
[M+K]+	735.39810	242.9
[M+H-H2O]+	679.43220	227.7
[M+HCOO]-	741.43314	244.3
[M+CH3COO]-	755.44879	283.8
[M+Na-2H]-	717.40961	222.4
[M]+	696.43439	235.2
[M]-	696.43549	235.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

697.44222

233.8

[M+Na]+

719.42416

242.5

[M-H]-

695.42766

243.3

[M+NH4]+

714.46876

244.2

[M+K]+

735.39810

242.9

[M+H-H2O]+

679.43220

227.7

[M+HCOO]-

741.43314

244.3

[M+CH3COO]-

755.44879

283.8

[M+Na-2H]-

717.40961

222.4

[M]+

696.43439

235.2

[M]-

696.43549

235.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(1,2-dioxoethylene)bis(iminoethylene) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe