PubChemLite - 17-dihydroexemestane (C20H26O2)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2O)CC(=C)C4=CC(=O)C=C[C@]34C

InChI

InChI=1S/C20H26O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16,18,22H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,18?,19+,20-/m0/s1

InChIKey

NFDPYPMRHKQTDM-IMAGCOIZSA-N

Compound name

(8R,9S,10R,13S,14S)-17-hydroxy-10,13-dimethyl-6-methylidene-8,9,11,12,14,15,16,17-octahydro-7H-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]+	299.20055	173.7
[M+Na]+	321.18249	184.2
[M+NH4]+	316.22709	186.2
[M+K]+	337.15643	174.3
[M-H]-	297.18599	176.3
[M+Na-2H]-	319.16794	176.7
[M]+	298.19272	176.1
[M]-	298.19382	176.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

299.20055

173.7

[M+Na]+

321.18249

184.2

[M+NH4]+

316.22709

186.2

[M+K]+

337.15643

174.3

[M-H]-

297.18599

176.3

[M+Na-2H]-

319.16794

176.7

[M]+

298.19272

176.1

[M]-

298.19382

176.1

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

17-dihydroexemestane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe