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]+ 351.170336 182.9
[M+Na]+ 373.152278 184.3
[M-H]- 349.155784 192.0
[M+NH4]+ 368.196883 194.4
[M+K]+ 389.126218 180.7
[M+H-H2O]+ 333.160320 172.4
[M+HCOO]- 395.161261 204.5
[M+CH3COO]- 409.176911 217.2
[M+Na-2H]- 371.137726 185.0
[M]+ 350.16251142 178.8
[M]- 350.16360858 178.8
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.