CID 52422

N,n'-diphenyl-n'-carboxymethylurea

Structural Information

Molecular Formula
C15H14N2O3
SMILES
C1=CC=C(C=C1)NC(=O)N(CC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C15H14N2O3/c18-14(19)11-17(13-9-5-2-6-10-13)15(20)16-12-7-3-1-4-8-12/h1-10H,11H2,(H,16,20)(H,18,19)
InChIKey
JUMUUQMEDABRGJ-UHFFFAOYSA-N
Compound name
2-[N-(phenylcarbamoyl)anilino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.10043 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 162.0
[M+Na]+ 293.08965 172.7
[M+NH4]+ 288.13425 168.7
[M+K]+ 309.06359 167.3
[M-H]- 269.09315 165.8
[M+Na-2H]- 291.07510 170.0
[M]+ 270.09988 164.2
[M]- 270.10098 164.2
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.