CID 90952

2174-13-2

Structural Information

Molecular Formula
C23H33NO3
SMILES
CC(=NO)C1=CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C
InChI
InChI=1S/C23H33NO3/c1-14(24-26)19-7-8-20-18-6-5-16-13-17(27-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21,26H,6,8-13H2,1-4H3
InChIKey
OVKSHCIVDWZSJD-UHFFFAOYSA-N
Compound name
[17-(N-hydroxy-C-methylcarbonimidoyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

371.24603 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.25331 192.3
[M+Na]+ 394.23525 199.8
[M+NH4]+ 389.27985 203.2
[M+K]+ 410.20919 191.3
[M-H]- 370.23875 194.4
[M+Na-2H]- 392.22070 194.0
[M]+ 371.24548 193.9
[M]- 371.24658 193.9
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.