PubChemLite - Ec 416-770-1 (C45H71NO6)

Structural Information

Molecular Formula

SMILES

CC1(CC(CC(N1CCOC(=O)CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)(C)C)OC(=O)CCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C

InChI

InChI=1S/C45H71NO6/c1-40(2,3)32-23-29(24-33(38(32)49)41(4,5)6)17-19-36(47)51-22-21-46-44(13,14)27-31(28-45(46,15)16)52-37(48)20-18-30-25-34(42(7,8)9)39(50)35(26-30)43(10,11)12/h23-26,31,49-50H,17-22,27-28H2,1-16H3

InChIKey

SKMNWICOBCDSSQ-UHFFFAOYSA-N

Compound name

2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2,6,6-tetramethylpiperidin-1-yl]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]+	722.53542	268.1
[M+Na]+	744.51736	268.6
[M-H]-	720.52086	271.8
[M+NH4]+	739.56196	268.5
[M+K]+	760.49130	268.1
[M+H-H2O]+	704.52540	261.4
[M+HCOO]-	766.52634	267.9
[M+CH3COO]-	780.54199	287.1
[M+Na-2H]-	742.50281	264.1
[M]+	721.52759	275.9
[M]-	721.52869	275.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

722.53542

268.1

[M+Na]+

744.51736

268.6

[M-H]-

720.52086

271.8

[M+NH4]+

739.56196

268.5

[M+K]+

760.49130

268.1

[M+H-H2O]+

704.52540

261.4

[M+HCOO]-

766.52634

267.9

[M+CH3COO]-

780.54199

287.1

[M+Na-2H]-

742.50281

264.1

[M]+

721.52759

275.9

[M]-

721.52869

275.9

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

Ec 416-770-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe