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]+ 318.06401 170.9
[M+Na]+ 340.04595 177.8
[M-H]- 316.04945 178.6
[M+NH4]+ 335.09055 185.4
[M+K]+ 356.01989 173.5
[M+H-H2O]+ 300.05399 163.0
[M+HCOO]- 362.05493 193.6
[M+CH3COO]- 376.07058 211.6
[M+Na-2H]- 338.03140 174.7
[M]+ 317.05618 172.9
[M]- 317.05728 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.