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]+	403.211496	191.5
[M+Na]+	425.193438	199.7
[M-H]-	401.196944	197.2
[M+NH4]+	420.238043	205.3
[M+K]+	441.167378	196.4
[M+H-H2O]+	385.201480	187.6
[M+HCOO]-	447.202421	207.0
[M+CH3COO]-	461.218071	219.1
[M+Na-2H]-	423.178886	190.3
[M]+	402.20367142	197.0
[M]-	402.20476858	197.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

403.211496

191.5

[M+Na]+

425.193438

199.7

[M-H]-

401.196944

197.2

[M+NH4]+

420.238043

205.3

[M+K]+

441.167378

196.4

[M+H-H2O]+

385.201480

187.6

[M+HCOO]-

447.202421

207.0

[M+CH3COO]-

461.218071

219.1

[M+Na-2H]-

423.178886

190.3

[M]+

402.20367142

197.0

[M]-

402.20476858

197.0

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