CID 9636728

2-(2-(aminocarbonyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C15H12ClN3O3
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)N)OC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H12ClN3O3/c16-12-7-5-10(6-8-12)14(20)22-13-4-2-1-3-11(13)9-18-19-15(17)21/h1-9H,(H3,17,19,21)/b18-9+
InChIKey
ABQVLKKZYXSWEM-GIJQJNRQSA-N
Compound name
[2-[(E)-(carbamoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.05673 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.064006 170.9
[M+Na]+ 340.045948 177.8
[M-H]- 316.049454 178.6
[M+NH4]+ 335.090553 185.4
[M+K]+ 356.019888 173.5
[M+H-H2O]+ 300.053990 163.0
[M+HCOO]- 362.054931 193.6
[M+CH3COO]- 376.070581 211.6
[M+Na-2H]- 338.031396 174.7
[M]+ 317.05618142 172.9
[M]- 317.05727858 172.9
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.