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 173.4
[M+Na]+ 347.10022 178.5
[M-H]- 323.10372 180.6
[M+NH4]+ 342.14482 186.0
[M+K]+ 363.07416 174.5
[M+H-H2O]+ 307.10826 164.5
[M+HCOO]- 369.10920 193.2
[M+CH3COO]- 383.12485 206.4
[M+Na-2H]- 345.08567 173.0
[M]+ 324.11045 170.6
[M]- 324.11155 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.