CID 711386

Oprea1_426292

Structural Information

Molecular Formula
C16H13ClN2O5
SMILES
CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C16H13ClN2O5/c1-2-24-16(21)11-5-3-4-6-14(11)18-15(20)12-9-10(19(22)23)7-8-13(12)17/h3-9H,2H2,1H3,(H,18,20)
InChIKey
HZQDWYMXWXCUDT-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.0513 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.05858 176.7
[M+Na]+ 371.04052 182.6
[M-H]- 347.04402 183.3
[M+NH4]+ 366.08512 189.1
[M+K]+ 387.01446 174.9
[M+H-H2O]+ 331.04856 173.9
[M+HCOO]- 393.04950 196.8
[M+CH3COO]- 407.06515 206.0
[M+Na-2H]- 369.02597 180.3
[M]+ 348.05075 179.4
[M]- 348.05185 179.4
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.