PubChemLite - Medrogestone (C23H32O2)

Structural Information

Molecular Formula

SMILES

CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@]3(C)C(=O)C)C)[C@@]4(C1=CC(=O)CC4)C

InChI

InChI=1S/C23H32O2/c1-14-12-17-18(21(3)9-6-16(25)13-20(14)21)7-11-23(5)19(17)8-10-22(23,4)15(2)24/h12-13,17-19H,6-11H2,1-5H3/t17-,18+,19+,21-,22-,23+/m1/s1

InChIKey

HCFSGRMEEXUOSS-JXEXPEPMSA-N

Compound name

(8R,9S,10R,13S,14S,17S)-17-acetyl-6,10,13,17-tetramethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[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]+	341.24751	185.4
[M+Na]+	363.22945	195.4
[M+NH4]+	358.27405	199.0
[M+K]+	379.20339	183.8
[M-H]-	339.23295	188.1
[M+Na-2H]-	361.21490	189.4
[M]+	340.23968	188.1
[M]-	340.24078	188.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

341.24751

185.4

[M+Na]+

363.22945

195.4

[M+NH4]+

358.27405

199.0

[M+K]+

379.20339

183.8

[M-H]-

339.23295

188.1

[M+Na-2H]-

361.21490

189.4

[M]+

340.23968

188.1

[M]-

340.24078

188.1

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

Medrogestone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe