CID 108465

2122 cb

Structural Information

Molecular Formula
C23H37NO2
SMILES
C1CCN(C1)C2CCC3CCC4C5CCC(C5CCC4C3C2)C(=O)CO
InChI
InChI=1S/C23H37NO2/c25-14-23(26)21-10-9-18-17-6-4-15-3-5-16(24-11-1-2-12-24)13-22(15)20(17)8-7-19(18)21/h15-22,25H,1-14H2
InChIKey
JIBKLOXZAVURGP-UHFFFAOYSA-N
Compound name
2-hydroxy-1-(2-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.28244 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.28972 192.5
[M+Na]+ 382.27166 191.5
[M-H]- 358.27516 195.4
[M+NH4]+ 377.31626 208.5
[M+K]+ 398.24560 185.4
[M+H-H2O]+ 342.27970 184.8
[M+HCOO]- 404.28064 196.3
[M+CH3COO]- 418.29629 197.7
[M+Na-2H]- 380.25711 183.8
[M]+ 359.28189 179.5
[M]- 359.28299 179.5
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.