PubChemLite - Citreoviridin (C23H30O6)

Structural Information

Molecular Formula

SMILES

C[C@@H]1[C@]([C@H]([C@](O1)(C)/C=C(\C)/C=C/C=C/C=C/C2=C(C(=CC(=O)O2)OC)C)O)(C)O

InChI

InChI=1S/C23H30O6/c1-15(14-22(4)21(25)23(5,26)17(3)29-22)11-9-7-8-10-12-18-16(2)19(27-6)13-20(24)28-18/h7-14,17,21,25-26H,1-6H3/b8-7+,11-9+,12-10+,15-14+/t17-,21+,22+,23+/m1/s1

InChIKey

JLSVDPQAIKFBTO-OMCRQDLASA-N

Compound name

6-[(1E,3E,5E,7E)-8-[(2S,3R,4R,5R)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-5-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	194.5
[M+Na]+	425.19344	203.7
[M+NH4]+	420.23804	200.1
[M+K]+	441.16738	197.5
[M-H]-	401.19694	196.2
[M+Na-2H]-	423.17889	196.7
[M]+	402.20367	196.2
[M]-	402.20477	196.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

403.21150

194.5

[M+Na]+

425.19344

203.7

[M+NH4]+

420.23804

200.1

[M+K]+

441.16738

197.5

[M-H]-

401.19694

196.2

[M+Na-2H]-

423.17889

196.7

[M]+

402.20367

196.2

[M]-

402.20477

196.2

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

Citreoviridin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe