CID 101900

3-pyrrolidin-1-ylandrosta-3,5-dien-17-one

Structural Information

Molecular Formula
C23H33NO
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CCC(=C4)N5CCCC5)C
InChI
InChI=1S/C23H33NO/c1-22-11-9-17(24-13-3-4-14-24)15-16(22)5-6-18-19-7-8-21(25)23(19,2)12-10-20(18)22/h5,15,18-20H,3-4,6-14H2,1-2H3/t18-,19-,20-,22-,23-/m0/s1
InChIKey
RYMKCRPGXRRYQV-CWMMHYCISA-N
Compound name
(8R,9S,10R,13S,14S)-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

339.25623 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.26351 188.8
[M+Na]+ 362.24545 198.2
[M+NH4]+ 357.29005 201.9
[M+K]+ 378.21939 189.3
[M-H]- 338.24895 193.2
[M+Na-2H]- 360.23090 191.9
[M]+ 339.25568 191.6
[M]- 339.25678 191.6
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

patents stripe