CID 3079581

Brn 4189759

Structural Information

Molecular Formula
C22H40N2O
SMILES
C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4N(C)CCN)C)O
InChI
InChI=1S/C22H40N2O/c1-21-10-8-16(25)14-15(21)4-5-17-18-6-7-20(24(3)13-12-23)22(18,2)11-9-19(17)21/h15-20,25H,4-14,23H2,1-3H3/t15-,16-,17-,18-,19-,20-,21-,22-/m0/s1
InChIKey
NDAWUPLIPPNPGL-JOFXYRRGSA-N
Compound name
(3S,5S,8R,9S,10S,13S,14S,17S)-17-[2-aminoethyl(methyl)amino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.31406 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.32134 189.3
[M+Na]+ 371.30328 194.7
[M+NH4]+ 366.34788 201.4
[M+K]+ 387.27722 185.8
[M-H]- 347.30678 192.7
[M+Na-2H]- 369.28873 190.1
[M]+ 348.31351 191.0
[M]- 348.31461 191.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.