PubChemLite - Cyanox 1790 (C42H57N3O6)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C(=C1CN2C(=O)N(C(=O)N(C2=O)CC3=C(C(=C(C=C3C)C(C)(C)C)O)C)CC4=C(C(=C(C=C4C)C(C)(C)C)O)C)C)O)C(C)(C)C

InChI

InChI=1S/C42H57N3O6/c1-22-16-31(40(7,8)9)34(46)25(4)28(22)19-43-37(49)44(20-29-23(2)17-32(41(10,11)12)35(47)26(29)5)39(51)45(38(43)50)21-30-24(3)18-33(42(13,14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3

InChIKey

XYXJKPCGSGVSBO-UHFFFAOYSA-N

Compound name

1,3,5-tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]-1,3,5-triazinane-2,4,6-trione

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]+	700.43202	279.7
[M+Na]+	722.41396	288.3
[M-H]-	698.41746	287.1
[M+NH4]+	717.45856	274.6
[M+K]+	738.38790	283.7
[M+H-H2O]+	682.42200	268.0
[M+HCOO]-	744.42294	283.6
[M+CH3COO]-	758.43859	288.8
[M+Na-2H]-	720.39941	270.7
[M]+	699.42419	289.3
[M]-	699.42529	289.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

700.43202

279.7

[M+Na]+

722.41396

288.3

[M-H]-

698.41746

287.1

[M+NH4]+

717.45856

274.6

[M+K]+

738.38790

283.7

[M+H-H2O]+

682.42200

268.0

[M+HCOO]-

744.42294

283.6

[M+CH3COO]-

758.43859

288.8

[M+Na-2H]-

720.39941

270.7

[M]+

699.42419

289.3

[M]-

699.42529

289.3

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

Cyanox 1790

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe