CID 457913

3-hydroxycholan-24-ohydrazide

Structural Information

Molecular Formula
C24H42N2O2
SMILES
CC(CCC(=O)NN)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
InChI
InChI=1S/C24H42N2O2/c1-15(4-9-22(28)26-25)19-7-8-20-18-6-5-16-14-17(27)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,27H,4-14,25H2,1-3H3,(H,26,28)
InChIKey
BXSPCFWJSALCFW-UHFFFAOYSA-N
Compound name
4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

390.32462 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.33190 198.4
[M+Na]+ 413.31384 198.4
[M-H]- 389.31734 199.0
[M+NH4]+ 408.35844 216.6
[M+K]+ 429.28778 193.0
[M+H-H2O]+ 373.32188 192.3
[M+HCOO]- 435.32282 204.0
[M+CH3COO]- 449.33847 227.7
[M+Na-2H]- 411.29929 194.3
[M]+ 390.32407 187.7
[M]- 390.32517 187.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.