PubChemLite - Nsc157469 (C34H46O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=C(C(=C2C)C)CC3=C(C(=CC(=C3)C)C(C)(C)C)O)C)C

InChI

InChI=1S/C34H46O2/c1-19-13-25(31(35)29(15-19)33(7,8)9)17-27-21(3)23(5)28(24(6)22(27)4)18-26-14-20(2)16-30(32(26)36)34(10,11)12/h13-16,35-36H,17-18H2,1-12H3

InChIKey

DSJCTVARYPWIFZ-UHFFFAOYSA-N

Compound name

2-tert-butyl-6-[[4-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-4-methylphenol

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]+	487.35708	224.7
[M+Na]+	509.33902	233.2
[M-H]-	485.34252	233.0
[M+NH4]+	504.38362	233.2
[M+K]+	525.31296	227.0
[M+H-H2O]+	469.34706	216.4
[M+HCOO]-	531.34800	237.3
[M+CH3COO]-	545.36365	249.7
[M+Na-2H]-	507.32447	218.6
[M]+	486.34925	230.5
[M]-	486.35035	230.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

487.35708

224.7

[M+Na]+

509.33902

233.2

[M-H]-

485.34252

233.0

[M+NH4]+

504.38362

233.2

[M+K]+

525.31296

227.0

[M+H-H2O]+

469.34706

216.4

[M+HCOO]-

531.34800

237.3

[M+CH3COO]-

545.36365

249.7

[M+Na-2H]-

507.32447

218.6

[M]+

486.34925

230.5

[M]-

486.35035

230.5

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

Nsc157469

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe