PubChemLite - Cantrixil (C24H24O6)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC2=C1OC[C@H]([C@H]2C3=CC=C(C=C3)O)C4=CC(=C(C(=C4)OC)O)OC)O

InChI

InChI=1S/C24H24O6/c1-13-19(26)9-8-17-22(14-4-6-16(25)7-5-14)18(12-30-24(13)17)15-10-20(28-2)23(27)21(11-15)29-3/h4-11,18,22,25-27H,12H2,1-3H3/t18-,22-/m0/s1

InChIKey

JFVVPUGGRUGRBJ-AVRDEDQJSA-N

Compound name

(3R,4S)-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol

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]+	409.16458	199.0
[M+Na]+	431.14652	214.7
[M+NH4]+	426.19112	205.7
[M+K]+	447.12046	207.8
[M-H]-	407.15002	205.9
[M+Na-2H]-	429.13197	204.9
[M]+	408.15675	203.4
[M]-	408.15785	203.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.16458

199.0

[M+Na]+

431.14652

214.7

[M+NH4]+

426.19112

205.7

[M+K]+

447.12046

207.8

[M-H]-

407.15002

205.9

[M+Na-2H]-

429.13197

204.9

[M]+

408.15675

203.4

[M]-

408.15785

203.4

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

Cantrixil

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe