CID 23618792

7635-03-2

Structural Information

Molecular Formula
C23H37NO2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OCCN(C)C)C
InChI
InChI=1S/C23H37NO2/c1-22-11-9-17(26-14-13-24(3)4)15-16(22)5-6-18-19-7-8-21(25)23(19,2)12-10-20(18)22/h5,17-20H,6-15H2,1-4H3/t17-,18-,19-,20-,22-,23-/m0/s1
InChIKey
RGEMJCLUPGZKTQ-WAUHAFJUSA-N
Compound name
(3S,8R,9S,10R,13S,14S)-3-[2-(dimethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

545
Patents

359.28244 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.28972 190.6
[M+Na]+ 382.27166 193.7
[M-H]- 358.27516 195.3
[M+NH4]+ 377.31626 212.1
[M+K]+ 398.24560 189.3
[M+H-H2O]+ 342.27970 183.1
[M+HCOO]- 404.28064 201.7
[M+CH3COO]- 418.29629 223.9
[M+Na-2H]- 380.25711 189.6
[M]+ 359.28189 186.5
[M]- 359.28299 186.5
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.