PubChemLite - Quinbolone (C24H32O2)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4=CCCC4)CCC5=CC(=O)C=C[C@]35C

InChI

InChI=1S/C24H32O2/c1-23-13-11-17(25)15-16(23)7-8-19-20-9-10-22(26-18-5-3-4-6-18)24(20,2)14-12-21(19)23/h5,11,13,15,19-22H,3-4,6-10,12,14H2,1-2H3/t19-,20-,21-,22-,23-,24-/m0/s1

InChIKey

IUVKMZGDUIUOCP-BTNSXGMBSA-N

Compound name

(8R,9S,10R,13S,14S,17S)-17-(cyclopenten-1-yloxy)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-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]+	353.24751	190.0
[M+Na]+	375.22945	199.8
[M+NH4]+	370.27405	203.3
[M+K]+	391.20339	190.8
[M-H]-	351.23295	194.9
[M+Na-2H]-	373.21490	193.9
[M]+	352.23968	193.1
[M]-	352.24078	193.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

353.24751

190.0

[M+Na]+

375.22945

199.8

[M+NH4]+

370.27405

203.3

[M+K]+

391.20339

190.8

[M-H]-

351.23295

194.9

[M+Na-2H]-

373.21490

193.9

[M]+

352.23968

193.1

[M]-

352.24078

193.1

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

Quinbolone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe