CID 1009804

2-({4-chloro-3-nitrobenzylidene}amino)-n-phenylbenzamide

Structural Information

Molecular Formula
C20H14ClN3O3
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2N=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C20H14ClN3O3/c21-17-11-10-14(12-19(17)24(26)27)13-22-18-9-5-4-8-16(18)20(25)23-15-6-2-1-3-7-15/h1-13H,(H,23,25)
InChIKey
DDDCUOBLTKUYKH-UHFFFAOYSA-N
Compound name
2-[(4-chloro-3-nitrophenyl)methylideneamino]-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.07236 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.07964 189.1
[M+Na]+ 402.06158 194.3
[M-H]- 378.06508 199.4
[M+NH4]+ 397.10618 199.9
[M+K]+ 418.03552 184.3
[M+H-H2O]+ 362.06962 183.9
[M+HCOO]- 424.07056 211.8
[M+CH3COO]- 438.08621 216.5
[M+Na-2H]- 400.04703 194.6
[M]+ 379.07181 189.6
[M]- 379.07291 189.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.