PubChemLite - Methenolone acetate (C22H32O3)

Structural Information

Molecular Formula

SMILES

CC1=CC(=O)C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4OC(=O)C)C)C

InChI

InChI=1S/C22H32O3/c1-13-11-16(24)12-15-5-6-17-18-7-8-20(25-14(2)23)21(18,3)10-9-19(17)22(13,15)4/h11,15,17-20H,5-10,12H2,1-4H3/t15-,17-,18-,19-,20-,21-,22-/m0/s1

InChIKey

PGAUJQOPTMSERF-QWQRBHLCSA-N

Compound name

[(5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate

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]+	345.24242	186.3
[M+Na]+	367.22436	195.1
[M+NH4]+	362.26896	198.1
[M+K]+	383.19830	186.0
[M-H]-	343.22786	188.4
[M+Na-2H]-	365.20981	187.7
[M]+	344.23459	188.3
[M]-	344.23569	188.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

345.24242

186.3

[M+Na]+

367.22436

195.1

[M+NH4]+

362.26896

198.1

[M+K]+

383.19830

186.0

[M-H]-

343.22786

188.4

[M+Na-2H]-

365.20981

187.7

[M]+

344.23459

188.3

[M]-

344.23569

188.3

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

Methenolone acetate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe