CID 209137

19302-42-2

Structural Information

Molecular Formula
C19H29N
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2N)CC=C4[C@@]3(CCC=C4)C
InChI
InChI=1S/C19H29N/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3,5-6,14-17H,4,7-12,20H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
InChIKey
HFNGMWZAVSOIIG-DYKIIFRCSA-N
Compound name
(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.23 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.23728 168.0
[M+Na]+ 294.21922 173.2
[M-H]- 270.22272 172.1
[M+NH4]+ 289.26382 192.5
[M+K]+ 310.19316 167.0
[M+H-H2O]+ 254.22726 161.0
[M+HCOO]- 316.22820 180.7
[M+CH3COO]- 330.24385 177.7
[M+Na-2H]- 292.20467 169.9
[M]+ 271.22945 159.5
[M]- 271.23055 159.5
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.