PubChemLite - Citreoviridin c (C23H30O6)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(O1)(C)/C=C(\C)/C=C\C=C\C=C/C2=CC(=C(C(=O)O2)C)OC)O)(C)O

InChI

InChI=1S/C23H30O6/c1-15(14-22(4)21(25)23(5,26)17(3)29-22)11-9-7-8-10-12-18-13-19(27-6)16(2)20(24)28-18/h7-14,17,21,25-26H,1-6H3/b8-7+,11-9-,12-10-,15-14+

InChIKey

QPSHETAOAVLQIF-MAUVYNLPSA-N

Compound name

6-[(1Z,3E,5Z,7E)-8-(3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl)-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-3-methylpyran-2-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]+	403.21150	191.5
[M+Na]+	425.19344	199.7
[M-H]-	401.19694	197.2
[M+NH4]+	420.23804	205.3
[M+K]+	441.16738	196.4
[M+H-H2O]+	385.20148	187.6
[M+HCOO]-	447.20242	207.0
[M+CH3COO]-	461.21807	219.1
[M+Na-2H]-	423.17889	190.3
[M]+	402.20367	197.0
[M]-	402.20477	197.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

403.21150

191.5

[M+Na]+

425.19344

199.7

[M-H]-

401.19694

197.2

[M+NH4]+

420.23804

205.3

[M+K]+

441.16738

196.4

[M+H-H2O]+

385.20148

187.6

[M+HCOO]-

447.20242

207.0

[M+CH3COO]-

461.21807

219.1

[M+Na-2H]-

423.17889

190.3

[M]+

402.20367

197.0

[M]-

402.20477

197.0

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

Citreoviridin c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe