CID 126484502

3-(4-carbamoylphenyl)benzoic acid

Structural Information

Molecular Formula
C14H11NO3
SMILES
C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)C(=O)N
InChI
InChI=1S/C14H11NO3/c15-13(16)10-6-4-9(5-7-10)11-2-1-3-12(8-11)14(17)18/h1-8H,(H2,15,16)(H,17,18)
InChIKey
NZYMBNSXWYJPEG-UHFFFAOYSA-N
Compound name
3-(4-carbamoylphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

241.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.081176 152.3
[M+Na]+ 264.063118 159.3
[M-H]- 240.066624 157.6
[M+NH4]+ 259.107723 168.2
[M+K]+ 280.037058 155.7
[M+H-H2O]+ 224.071160 145.1
[M+HCOO]- 286.072101 174.6
[M+CH3COO]- 300.087751 192.5
[M+Na-2H]- 262.048566 155.4
[M]+ 241.07335142 150.2
[M]- 241.07444858 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe