PubChemLite - Brn 5459804 (C34H50O2)

Structural Information

Molecular Formula

SMILES

C/C=C(/C(=C/C)/C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)\C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C34H50O2/c1-15-23(21-17-25(31(3,4)5)29(35)26(18-21)32(6,7)8)24(16-2)22-19-27(33(9,10)11)30(36)28(20-22)34(12,13)14/h15-20,35-36H,1-14H3/b23-15+,24-16+

InChIKey

ARIGZGWFCWLHSG-DFEHQXHXSA-N

Compound name

2,6-ditert-butyl-4-[(2E,4E)-4-(3,5-ditert-butyl-4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol

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]+	491.38835	218.9
[M+Na]+	513.37029	223.1
[M-H]-	489.37379	222.8
[M+NH4]+	508.41489	226.8
[M+K]+	529.34423	218.3
[M+H-H2O]+	473.37833	213.1
[M+HCOO]-	535.37927	226.2
[M+CH3COO]-	549.39492	245.7
[M+Na-2H]-	511.35574	215.3
[M]+	490.38052	221.7
[M]-	490.38162	221.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.38835

218.9

[M+Na]+

513.37029

223.1

[M-H]-

489.37379

222.8

[M+NH4]+

508.41489

226.8

[M+K]+

529.34423

218.3

[M+H-H2O]+

473.37833

213.1

[M+HCOO]-

535.37927

226.2

[M+CH3COO]-

549.39492

245.7

[M+Na-2H]-

511.35574

215.3

[M]+

490.38052

221.7

[M]-

490.38162

221.7

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

Brn 5459804

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe