CID 45055053

765904-81-2

Structural Information

Molecular Formula
C16H13ClN4O4
SMILES
CC1=CC=CC=C1NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C16H13ClN4O4/c1-10-4-2-3-5-13(10)19-15(22)16(23)20-18-9-11-6-7-12(17)14(8-11)21(24)25/h2-9H,1H3,(H,19,22)(H,20,23)/b18-9+
InChIKey
WGBCECRVJMKICL-GIJQJNRQSA-N
Compound name
N'-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-N-(2-methylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.06253 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.06981 181.2
[M+Na]+ 383.05175 186.3
[M-H]- 359.05525 189.0
[M+NH4]+ 378.09635 193.1
[M+K]+ 399.02569 178.3
[M+H-H2O]+ 343.05979 177.6
[M+HCOO]- 405.06073 204.7
[M+CH3COO]- 419.07638 214.2
[M+Na-2H]- 381.03720 186.0
[M]+ 360.06198 182.0
[M]- 360.06308 182.0
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.