CID 4416973

1-(4-carboxyphenyl)-3-(4-chlorophenyl)urea

Structural Information

Molecular Formula
C14H11ClN2O3
SMILES
C1=CC(=CC=C1C(=O)O)NC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H11ClN2O3/c15-10-3-7-12(8-4-10)17-14(20)16-11-5-1-9(2-6-11)13(18)19/h1-8H,(H,18,19)(H2,16,17,20)
InChIKey
LFXYMRKZPHZNGU-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)carbamoylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0458 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.053076 162.4
[M+Na]+ 313.035018 169.4
[M-H]- 289.038524 168.0
[M+NH4]+ 308.079623 177.2
[M+K]+ 329.008958 164.5
[M+H-H2O]+ 273.043060 155.7
[M+HCOO]- 335.044001 181.9
[M+CH3COO]- 349.059651 200.7
[M+Na-2H]- 311.020466 166.5
[M]+ 290.04525142 162.9
[M]- 290.04634858 162.9
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.