PubChemLite - Fusoxypene c (C25H40)

Structural Information

Molecular Formula

SMILES

C[C@@H]\1CC[C@@H]\2/C1=C\C/C(=C/C[C@@]3(CC[C@H]([C@H]3C/C=C2\C)C(C)C)C)/C

InChI

InChI=1S/C25H40/c1-17(2)21-14-16-25(6)15-13-18(3)7-10-22-19(4)8-11-23(22)20(5)9-12-24(21)25/h9-10,13,17,19,21,23-24H,7-8,11-12,14-16H2,1-6H3/b18-13+,20-9+,22-10-/t19-,21+,23+,24-,25-/m1/s1

InChIKey

RGXPVTCXXHGAHK-CVLIZMCSSA-N

Compound name

(1S,2E,5R,6S,9S,11E,14Z,16R)-2,9,12,16-tetramethyl-6-propan-2-yltricyclo[13.3.0.05,9]octadeca-2,11,14-triene

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]+	341.32028	188.1
[M+Na]+	363.30222	193.3
[M-H]-	339.30572	191.0
[M+NH4]+	358.34682	207.4
[M+K]+	379.27616	188.6
[M+H-H2O]+	323.31026	186.4
[M+HCOO]-	385.31120	201.8
[M+CH3COO]-	399.32685	213.3
[M+Na-2H]-	361.28767	181.4
[M]+	340.31245	182.8
[M]-	340.31355	182.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

341.32028

188.1

[M+Na]+

363.30222

193.3

[M-H]-

339.30572

191.0

[M+NH4]+

358.34682

207.4

[M+K]+

379.27616

188.6

[M+H-H2O]+

323.31026

186.4

[M+HCOO]-

385.31120

201.8

[M+CH3COO]-

399.32685

213.3

[M+Na-2H]-

361.28767

181.4

[M]+

340.31245

182.8

[M]-

340.31355

182.8

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

Fusoxypene c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe