PubChemLite - Normethandrone (C19H28O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C19H28O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h11,14-17,21H,3-10H2,1-2H3/t14-,15+,16+,17-,18-,19-/m0/s1

InChIKey

ZXSWTMLNIIZPET-ZOFHRBRSSA-N

Compound name

(8R,9S,10R,13S,14S,17S)-17-hydroxy-13,17-dimethyl-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]+	289.21620	171.8
[M+Na]+	311.19814	177.4
[M-H]-	287.20164	175.1
[M+NH4]+	306.24274	195.5
[M+K]+	327.17208	171.4
[M+H-H2O]+	271.20618	165.7
[M+HCOO]-	333.20712	181.5
[M+CH3COO]-	347.22277	181.2
[M+Na-2H]-	309.18359	172.6
[M]+	288.20837	164.3
[M]-	288.20947	164.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

289.21620

171.8

[M+Na]+

311.19814

177.4

[M-H]-

287.20164

175.1

[M+NH4]+

306.24274

195.5

[M+K]+

327.17208

171.4

[M+H-H2O]+

271.20618

165.7

[M+HCOO]-

333.20712

181.5

[M+CH3COO]-

347.22277

181.2

[M+Na-2H]-

309.18359

172.6

[M]+

288.20837

164.3

[M]-

288.20947

164.3

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

Normethandrone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe