PubChemLite - (z)-5-alpha-pregn-17(20)-en-3-alpha-amine hydrochloride (C21H35N)

Structural Information

Molecular Formula

SMILES

C/C=C\1/CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)N)C)C

InChI

InChI=1S/C21H35N/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h4,15-19H,5-13,22H2,1-3H3/b14-4-/t15-,16+,17-,18-,19-,20+,21-/m0/s1

InChIKey

WAGHQJXHHYRXFF-NDMLHFCBSA-N

Compound name

(3R,5S,8R,9S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-amine

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]+	302.28423	178.5
[M+Na]+	324.26617	182.0
[M-H]-	300.26967	181.6
[M+NH4]+	319.31077	201.8
[M+K]+	340.24011	175.1
[M+H-H2O]+	284.27421	171.7
[M+HCOO]-	346.27515	187.5
[M+CH3COO]-	360.29080	186.6
[M+Na-2H]-	322.25162	176.7
[M]+	301.27640	167.2
[M]-	301.27750	167.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

302.28423

178.5

[M+Na]+

324.26617

182.0

[M-H]-

300.26967

181.6

[M+NH4]+

319.31077

201.8

[M+K]+

340.24011

175.1

[M+H-H2O]+

284.27421

171.7

[M+HCOO]-

346.27515

187.5

[M+CH3COO]-

360.29080

186.6

[M+Na-2H]-

322.25162

176.7

[M]+

301.27640

167.2

[M]-

301.27750

167.2

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

(z)-5-alpha-pregn-17(20)-en-3-alpha-amine hydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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