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]+	303.231856	176.3
[M+Na]+	325.213798	181.4
[M-H]-	301.217304	179.3
[M+NH4]+	320.258403	199.4
[M+K]+	341.187738	175.2
[M+H-H2O]+	285.221840	170.0
[M+HCOO]-	347.222781	185.6
[M+CH3COO]-	361.238431	185.2
[M+Na-2H]-	323.199246	176.5
[M]+	302.22403142	169.1
[M]-	302.22512858	169.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

303.231856

176.3

[M+Na]+

325.213798

181.4

[M-H]-

301.217304

179.3

[M+NH4]+

320.258403

199.4

[M+K]+

341.187738

175.2

[M+H-H2O]+

285.221840

170.0

[M+HCOO]-

347.222781

185.6

[M+CH3COO]-

361.238431

185.2

[M+Na-2H]-

323.199246

176.5

[M]+

302.22403142

169.1

[M]-

302.22512858

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