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 160.7
[M+Na]+ 293.08965 164.6
[M-H]- 269.09315 166.9
[M+NH4]+ 288.13425 175.3
[M+K]+ 309.06359 162.6
[M+H-H2O]+ 253.09769 152.2
[M+HCOO]- 315.09863 184.8
[M+CH3COO]- 329.11428 200.8
[M+Na-2H]- 291.07510 165.4
[M]+ 270.09988 159.4
[M]- 270.10098 159.4
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.