CID 710824

Ethyl 2-[(4-methyl-3-nitrobenzoyl)amino]benzoate

Structural Information

Molecular Formula
C17H16N2O5
SMILES
CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]
InChI
InChI=1S/C17H16N2O5/c1-3-24-17(21)13-6-4-5-7-14(13)18-16(20)12-9-8-11(2)15(10-12)19(22)23/h4-10H,3H2,1-2H3,(H,18,20)
InChIKey
FQAIWOSBTHUSQR-UHFFFAOYSA-N
Compound name
ethyl 2-[(4-methyl-3-nitrobenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.10593 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11321 174.2
[M+Na]+ 351.09515 179.3
[M-H]- 327.09865 181.0
[M+NH4]+ 346.13975 186.6
[M+K]+ 367.06909 172.8
[M+H-H2O]+ 311.10319 170.2
[M+HCOO]- 373.10413 198.4
[M+CH3COO]- 387.11978 205.3
[M+Na-2H]- 349.08060 177.9
[M]+ 328.10538 174.8
[M]- 328.10648 174.8
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.