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]+ 325.11828 175.3
[M+Na]+ 347.10022 186.0
[M+NH4]+ 342.14482 181.0
[M+K]+ 363.07416 182.8
[M-H]- 323.10372 178.7
[M+Na-2H]- 345.08567 181.6
[M]+ 324.11045 177.4
[M]- 324.11155 177.4
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.