PubChemLite - 20837-68-7 (C31H32O4)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1)O)CC2=C(C(=CC(=C2)C)CC3=CC(=CC(=C3O)CC4=C(C=CC(=C4)C)O)C)O

InChI

InChI=1S/C31H32O4/c1-18-5-7-28(32)22(9-18)15-24-11-20(3)13-26(30(24)34)17-27-14-21(4)12-25(31(27)35)16-23-10-19(2)6-8-29(23)33/h5-14,32-35H,15-17H2,1-4H3

InChIKey

KYOZIVFRHLSSKN-UHFFFAOYSA-N

Compound name

2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]-6-[(2-hydroxy-5-methylphenyl)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]+	469.23735	224.2
[M+Na]+	491.21929	242.0
[M+NH4]+	486.26389	230.6
[M+K]+	507.19323	232.2
[M-H]-	467.22279	232.2
[M+Na-2H]-	489.20474	232.7
[M]+	468.22952	229.4
[M]-	468.23062	229.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.23735

224.2

[M+Na]+

491.21929

242.0

[M+NH4]+

486.26389

230.6

[M+K]+

507.19323

232.2

[M-H]-

467.22279

232.2

[M+Na-2H]-

489.20474

232.7

[M]+

468.22952

229.4

[M]-

468.23062

229.4

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

20837-68-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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