CID 711540

Ethyl 4-[(4-methoxy-3-nitrobenzoyl)amino]benzoate

Structural Information

Molecular Formula
C17H16N2O6
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]
InChI
InChI=1S/C17H16N2O6/c1-3-25-17(21)11-4-7-13(8-5-11)18-16(20)12-6-9-15(24-2)14(10-12)19(22)23/h4-10H,3H2,1-2H3,(H,18,20)
InChIKey
CNIGOJCRUWOURW-UHFFFAOYSA-N
Compound name
ethyl 4-[(4-methoxy-3-nitrobenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.10083 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.108106 176.9
[M+Na]+ 367.090048 181.7
[M-H]- 343.093554 183.7
[M+NH4]+ 362.134653 188.5
[M+K]+ 383.063988 176.0
[M+H-H2O]+ 327.098090 172.6
[M+HCOO]- 389.099031 201.3
[M+CH3COO]- 403.114681 207.5
[M+Na-2H]- 365.075496 180.9
[M]+ 344.10028142 178.8
[M]- 344.10137858 178.8
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.