CID 2811180

Oprea1_747536

Structural Information

Molecular Formula
C19H19N3O4
SMILES
C1CN(C(=O)N1)CCNC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C19H19N3O4/c23-17(20-9-11-22-12-10-21-19(22)26)15-7-3-1-5-13(15)14-6-2-4-8-16(14)18(24)25/h1-8H,9-12H2,(H,20,23)(H,21,26)(H,24,25)
InChIKey
NBQZWSASTCGCDN-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoyl]phenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

353.13754 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.144816 181.7
[M+Na]+ 376.126758 185.9
[M-H]- 352.130264 186.0
[M+NH4]+ 371.171363 191.1
[M+K]+ 392.100698 180.7
[M+H-H2O]+ 336.134800 172.0
[M+HCOO]- 398.135741 198.4
[M+CH3COO]- 412.151391 209.9
[M+Na-2H]- 374.112206 180.6
[M]+ 353.13699142 178.0
[M]- 353.13808858 178.0
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.