CID 3079580

126054-51-1

Structural Information

Molecular Formula
C24H41N3O
SMILES
C[C@]12CC[C@@H](C[C@@H]1CCC3C2CC[C@]4(C3CC[C@@H]4N(C)CCNCC#N)C)O
InChI
InChI=1S/C24H41N3O/c1-23-10-8-18(28)16-17(23)4-5-19-20-6-7-22(24(20,2)11-9-21(19)23)27(3)15-14-26-13-12-25/h17-22,26,28H,4-11,13-16H2,1-3H3/t17-,18-,19?,20?,21?,22-,23-,24-/m0/s1
InChIKey
DPAGFZBNZTVKRV-FYFRKPSWSA-N
Compound name
2-[2-[[(3S,5S,10S,13S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-methylamino]ethylamino]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.32495 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.33223 200.1
[M+Na]+ 410.31417 205.3
[M+NH4]+ 405.35877 207.4
[M+K]+ 426.28811 193.0
[M-H]- 386.31767 195.6
[M+Na-2H]- 408.29962 198.2
[M]+ 387.32440 198.7
[M]- 387.32550 198.7
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.