CID 3032441

Androst-5-ene-3-alpha,17-beta-diamine, dihydrochloride

Structural Information

Molecular Formula
C19H32N2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2N)CC=C4[C@@]3(CC[C@H](C4)N)C
InChI
InChI=1S/C19H32N2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17H,4-11,20-21H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1
InChIKey
KGDQDFXMSVUKKO-KYQPOWKGSA-N
Compound name
(3R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.25656 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.263836 171.0
[M+Na]+ 311.245778 175.4
[M-H]- 287.249284 174.3
[M+NH4]+ 306.290383 194.5
[M+K]+ 327.219718 169.2
[M+H-H2O]+ 271.253820 164.5
[M+HCOO]- 333.254761 182.6
[M+CH3COO]- 347.270411 179.9
[M+Na-2H]- 309.231226 171.3
[M]+ 288.25601142 160.1
[M]- 288.25710858 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.