CID 19084916

151338-11-3

Structural Information

Molecular Formula
C25H36N2O
SMILES
CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CC=C4C3(CCC(=C4)C#N)C
InChI
InChI=1S/C25H36N2O/c1-23(2,3)27-22(28)21-9-8-19-18-7-6-17-14-16(15-26)10-12-24(17,4)20(18)11-13-25(19,21)5/h6,14,18-21H,7-13H2,1-5H3,(H,27,28)
InChIKey
SWSAVZHOUMPGCF-UHFFFAOYSA-N
Compound name
N-tert-butyl-3-cyano-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

380.28278 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.29006 195.9
[M+Na]+ 403.27200 203.5
[M+NH4]+ 398.31660 203.4
[M+K]+ 419.24594 191.5
[M-H]- 379.27550 191.0
[M+Na-2H]- 401.25745 195.8
[M]+ 380.28223 195.0
[M]- 380.28333 195.0
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.