CID 710864

Methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate

Structural Information

Molecular Formula
C15H11ClN2O5
SMILES
COC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H11ClN2O5/c1-23-15(20)11-4-2-3-5-13(11)17-14(19)10-7-6-9(18(21)22)8-12(10)16/h2-8H,1H3,(H,17,19)
InChIKey
DVWMDFISWCEDRI-UHFFFAOYSA-N
Compound name
methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.03564 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.04292 171.8
[M+Na]+ 357.02486 178.3
[M-H]- 333.02836 178.6
[M+NH4]+ 352.06946 184.8
[M+K]+ 372.99880 170.7
[M+H-H2O]+ 317.03290 169.3
[M+HCOO]- 379.03384 192.3
[M+CH3COO]- 393.04949 203.0
[M+Na-2H]- 355.01031 176.0
[M]+ 334.03509 174.2
[M]- 334.03619 174.2
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.