PubChemLite - 19-norprogesterone (C20H28O2)

Structural Information

Molecular Formula

SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C

InChI

InChI=1S/C20H28O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h11,15-19H,3-10H2,1-2H3/t15-,16+,17+,18+,19-,20+/m0/s1

InChIKey

NVUUMOOKVFONOM-GPBSYSOESA-N

Compound name

(8R,9S,10R,13S,14S,17S)-17-acetyl-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-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]+	301.21620	174.4
[M+Na]+	323.19814	178.6
[M-H]-	299.20164	178.5
[M+NH4]+	318.24274	196.0
[M+K]+	339.17208	173.2
[M+H-H2O]+	283.20618	168.0
[M+HCOO]-	345.20712	184.4
[M+CH3COO]-	359.22277	183.5
[M+Na-2H]-	321.18359	172.8
[M]+	300.20837	167.2
[M]-	300.20947	167.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

301.21620

174.4

[M+Na]+

323.19814

178.6

[M-H]-

299.20164

178.5

[M+NH4]+

318.24274

196.0

[M+K]+

339.17208

173.2

[M+H-H2O]+

283.20618

168.0

[M+HCOO]-

345.20712

184.4

[M+CH3COO]-

359.22277

183.5

[M+Na-2H]-

321.18359

172.8

[M]+

300.20837

167.2

[M]-

300.20947

167.2

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

19-norprogesterone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe