CID 38304

39630-02-9

Structural Information

Molecular Formula
C18H16N2O4
SMILES
C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C18H16N2O4/c21-16-10-12(11-20(16)13-6-2-1-3-7-13)17(22)19-15-9-5-4-8-14(15)18(23)24/h1-9,12H,10-11H2,(H,19,22)(H,23,24)
InChIKey
ARUDIDPMLXPZKC-UHFFFAOYSA-N
Compound name
2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.111 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.118276 173.4
[M+Na]+ 347.100218 178.5
[M-H]- 323.103724 180.6
[M+NH4]+ 342.144823 186.0
[M+K]+ 363.074158 174.5
[M+H-H2O]+ 307.108260 164.5
[M+HCOO]- 369.109201 193.2
[M+CH3COO]- 383.124851 206.4
[M+Na-2H]- 345.085666 173.0
[M]+ 324.11045142 170.6
[M]- 324.11154858 170.6
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.