CID 4128510

1-(p-anisyl)-3-(2-carboxyphenyl)urea

Structural Information

Molecular Formula
C15H14N2O4
SMILES
COC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H14N2O4/c1-21-11-8-6-10(7-9-11)16-15(20)17-13-5-3-2-4-12(13)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20)
InChIKey
ZFHPJWWTGIZRLR-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)carbamoylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

286.09537 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.102646 163.2
[M+Na]+ 309.084588 168.7
[M-H]- 285.088094 168.8
[M+NH4]+ 304.129193 177.1
[M+K]+ 325.058528 166.1
[M+H-H2O]+ 269.092630 155.0
[M+HCOO]- 331.093571 187.0
[M+CH3COO]- 345.109221 202.3
[M+Na-2H]- 307.070036 167.3
[M]+ 286.09482142 163.0
[M]- 286.09591858 163.0
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

patents stripe