CID 5720801

133662-00-7

Structural Information

Molecular Formula
C15H14ClN3O
SMILES
C/C(=N\NC(=O)C1=CC=CC=C1N)/C2=CC=CC=C2Cl
InChI
InChI=1S/C15H14ClN3O/c1-10(11-6-2-4-8-13(11)16)18-19-15(20)12-7-3-5-9-14(12)17/h2-9H,17H2,1H3,(H,19,20)/b18-10+
InChIKey
HGODELXMDCDIOJ-VCHYOVAHSA-N
Compound name
2-amino-N-[(E)-1-(2-chlorophenyl)ethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.08255 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.089826 166.5
[M+Na]+ 310.071768 173.4
[M-H]- 286.075274 174.1
[M+NH4]+ 305.116373 182.4
[M+K]+ 326.045708 168.3
[M+H-H2O]+ 270.079810 159.0
[M+HCOO]- 332.080751 188.6
[M+CH3COO]- 346.096401 208.7
[M+Na-2H]- 308.057216 170.1
[M]+ 287.08200142 166.5
[M]- 287.08309858 166.5
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.