CID 5333622

35559-01-4

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]+ 274.074176 161.6
[M+Na]+ 296.056118 169.1
[M-H]- 272.059624 169.2
[M+NH4]+ 291.100723 178.1
[M+K]+ 312.030058 163.7
[M+H-H2O]+ 256.064160 154.1
[M+HCOO]- 318.065101 184.9
[M+CH3COO]- 332.080751 204.8
[M+Na-2H]- 294.041566 166.8
[M]+ 273.06635142 161.8
[M]- 273.06744858 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.