CID 5333622

4-aminobenzoic (2-chlorobenzylidene)hydrazide

Structural Information

Molecular Formula
C14H12ClN3O
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=C(C=C2)N)Cl
InChI
InChI=1S/C14H12ClN3O/c15-13-4-2-1-3-11(13)9-17-18-14(19)10-5-7-12(16)8-6-10/h1-9H,16H2,(H,18,19)/b17-9+
InChIKey
BSSKWODTFLQDIF-RQZCQDPDSA-N
Compound name
4-amino-N-[(E)-(2-chlorophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0669 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07418 161.6
[M+Na]+ 296.05612 169.1
[M-H]- 272.05962 169.2
[M+NH4]+ 291.10072 178.1
[M+K]+ 312.03006 163.7
[M+H-H2O]+ 256.06416 154.1
[M+HCOO]- 318.06510 184.9
[M+CH3COO]- 332.08075 204.8
[M+Na-2H]- 294.04157 166.8
[M]+ 273.06635 161.8
[M]- 273.06745 161.8
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.