PubChemLite - Cnidimol 7-glucoside (C21H26O10)

Structural Information

Molecular Formula

SMILES

CC1=CC(=O)C2=C(C(=C(C=C2O1)OC3C(C(C(C(O3)CO)O)O)O)C/C=C(\C)/CO)O

InChI

InChI=1S/C21H26O10/c1-9(7-22)3-4-11-13(6-14-16(17(11)25)12(24)5-10(2)29-14)30-21-20(28)19(27)18(26)15(8-23)31-21/h3,5-6,15,18-23,25-28H,4,7-8H2,1-2H3/b9-3+

InChIKey

VAWXDOOFPWDVPC-YCRREMRBSA-N

Compound name

5-hydroxy-6-[(E)-4-hydroxy-3-methylbut-2-enyl]-2-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

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]+	439.15988	201.8
[M+Na]+	461.14182	207.4
[M-H]-	437.14532	203.3
[M+NH4]+	456.18642	205.9
[M+K]+	477.11576	206.7
[M+H-H2O]+	421.14986	193.9
[M+HCOO]-	483.15080	208.8
[M+CH3COO]-	497.16645	223.9
[M+Na-2H]-	459.12727	199.0
[M]+	438.15205	204.6
[M]-	438.15315	204.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.15988

201.8

[M+Na]+

461.14182

207.4

[M-H]-

437.14532

203.3

[M+NH4]+

456.18642

205.9

[M+K]+

477.11576

206.7

[M+H-H2O]+

421.14986

193.9

[M+HCOO]-

483.15080

208.8

[M+CH3COO]-

497.16645

223.9

[M+Na-2H]-

459.12727

199.0

[M]+

438.15205

204.6

[M]-

438.15315

204.6

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

Cnidimol 7-glucoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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