PubChemLite - Norethindrone (C20H26O2)

Structural Information

Molecular Formula

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34

InChI

InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1

InChIKey

VIKNJXKGJWUCNN-XGXHKTLJSA-N

Compound name

(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[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	174.8
[M+Na]+	321.18249	184.1
[M+NH4]+	316.22709	183.1
[M+K]+	337.15643	171.7
[M-H]-	297.18599	169.0
[M+Na-2H]-	319.16794	174.2
[M]+	298.19272	173.8
[M]-	298.19382	173.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

299.20055

174.8

[M+Na]+

321.18249

184.1

[M+NH4]+

316.22709

183.1

[M+K]+

337.15643

171.7

[M-H]-

297.18599

169.0

[M+Na-2H]-

319.16794

174.2

[M]+

298.19272

173.8

[M]-

298.19382

173.8

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

Norethindrone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe