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]+ 360.289716 192.5
[M+Na]+ 382.271658 191.5
[M-H]- 358.275164 195.4
[M+NH4]+ 377.316263 208.5
[M+K]+ 398.245598 185.4
[M+H-H2O]+ 342.279700 184.8
[M+HCOO]- 404.280641 196.3
[M+CH3COO]- 418.296291 197.7
[M+Na-2H]- 380.257106 183.8
[M]+ 359.28189142 179.5
[M]- 359.28298858 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.