CID 217791

39630-04-1

Structural Information

Molecular Formula
C19H18N2O4
SMILES
COC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3
InChI
InChI=1S/C19H18N2O4/c1-25-19(24)15-9-5-6-10-16(15)20-18(23)13-11-17(22)21(12-13)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,20,23)
InChIKey
MNPGILARYZHJMK-UHFFFAOYSA-N
Compound name
methyl 2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

338.12665 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13393 178.0
[M+Na]+ 361.11587 183.2
[M-H]- 337.11937 186.4
[M+NH4]+ 356.16047 190.9
[M+K]+ 377.08981 179.8
[M+H-H2O]+ 321.12391 168.7
[M+HCOO]- 383.12485 199.0
[M+CH3COO]- 397.14050 211.0
[M+Na-2H]- 359.10132 177.5
[M]+ 338.12610 177.3
[M]- 338.12720 177.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.