PubChemLite - Norethandrolone (C20H30O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H30O2/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/h12,15-18,22H,3-11H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1

InChIKey

ZDHCJEIGTNNEMY-XGXHKTLJSA-N

Compound name

(8R,9S,10R,13S,14S,17S)-17-ethyl-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]+	303.23186	176.3
[M+Na]+	325.21380	181.4
[M-H]-	301.21730	179.3
[M+NH4]+	320.25840	199.4
[M+K]+	341.18774	175.2
[M+H-H2O]+	285.22184	170.0
[M+HCOO]-	347.22278	185.6
[M+CH3COO]-	361.23843	185.2
[M+Na-2H]-	323.19925	176.5
[M]+	302.22403	169.1
[M]-	302.22513	169.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

303.23186

176.3

[M+Na]+

325.21380

181.4

[M-H]-

301.21730

179.3

[M+NH4]+

320.25840

199.4

[M+K]+

341.18774

175.2

[M+H-H2O]+

285.22184

170.0

[M+HCOO]-

347.22278

185.6

[M+CH3COO]-

361.23843

185.2

[M+Na-2H]-

323.19925

176.5

[M]+

302.22403

169.1

[M]-

302.22513

169.1

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

Norethandrolone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe