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 194.8
[M+Na]+ 410.31417 200.2
[M-H]- 386.31767 197.2
[M+NH4]+ 405.35877 212.5
[M+K]+ 426.28811 188.9
[M+H-H2O]+ 370.32221 182.4
[M+HCOO]- 432.32315 201.6
[M+CH3COO]- 446.33880 236.8
[M+Na-2H]- 408.29962 193.5
[M]+ 387.32440 182.8
[M]- 387.32550 182.8
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.