CID 3032441

Chlorhydrate de diamino-3-alpha 17-beta androstene-5 [french]

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]+ 289.26384 172.1
[M+Na]+ 311.24578 179.8
[M+NH4]+ 306.29038 185.3
[M+K]+ 327.21972 170.2
[M-H]- 287.24928 176.5
[M+Na-2H]- 309.23123 174.8
[M]+ 288.25601 174.5
[M]- 288.25711 174.5
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.