CID 9644708

4-(2-(cyclohexylcarbonyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C21H22N2O3
SMILES
C1CCC(CC1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H22N2O3/c24-20(17-7-3-1-4-8-17)23-22-15-16-11-13-19(14-12-16)26-21(25)18-9-5-2-6-10-18/h2,5-6,9-15,17H,1,3-4,7-8H2,(H,23,24)/b22-15+
InChIKey
HCRIEAKDKHHLNU-PXLXIMEGSA-N
Compound name
[4-[(E)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.16306 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 185.3
[M+Na]+ 373.15228 196.3
[M+NH4]+ 368.19688 192.2
[M+K]+ 389.12622 188.6
[M-H]- 349.15578 191.7
[M+Na-2H]- 371.13773 193.9
[M]+ 350.16251 188.3
[M]- 350.16361 188.3
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.