CID 2989360

3-[(4-chlorophenyl)carbamoylamino]benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
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]+ 291.05308 162.4
[M+Na]+ 313.03502 169.4
[M-H]- 289.03852 168.0
[M+NH4]+ 308.07962 177.2
[M+K]+ 329.00896 164.5
[M+H-H2O]+ 273.04306 155.7
[M+HCOO]- 335.04400 181.9
[M+CH3COO]- 349.05965 200.7
[M+Na-2H]- 311.02047 166.5
[M]+ 290.04525 162.9
[M]- 290.04635 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.