CID 374912

Nsc653496

Structural Information

Molecular Formula
C13H12N2O4
SMILES
CCOC(=O)C1=CC=CC=C1NN2C(=O)C=CC2=O
InChI
InChI=1S/C13H12N2O4/c1-2-19-13(18)9-5-3-4-6-10(9)14-15-11(16)7-8-12(15)17/h3-8,14H,2H2,1H3
InChIKey
ZABGVDWWWMIQMD-UHFFFAOYSA-N
Compound name
ethyl 2-[(2,5-dioxopyrrol-1-yl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0797 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08698 155.1
[M+Na]+ 283.06892 163.1
[M-H]- 259.07242 161.1
[M+NH4]+ 278.11352 171.9
[M+K]+ 299.04286 160.7
[M+H-H2O]+ 243.07696 147.4
[M+HCOO]- 305.07790 179.3
[M+CH3COO]- 319.09355 196.4
[M+Na-2H]- 281.05437 157.6
[M]+ 260.07915 157.0
[M]- 260.08025 157.0
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.