CID 5287459

5-carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid

Structural Information

Molecular Formula
C20H15NO3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=CC(=C3)C(=O)O)C(=O)N
InChI
InChI=1S/C20H15NO3/c21-19(22)17-10-16(11-18(12-17)20(23)24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H2,21,22)(H,23,24)
InChIKey
LAZPCGBRHLARSI-UHFFFAOYSA-N
Compound name
3-carbamoyl-5-(4-phenylphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

317.1052 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11248 174.0
[M+Na]+ 340.09442 180.3
[M-H]- 316.09792 182.1
[M+NH4]+ 335.13902 186.3
[M+K]+ 356.06836 175.1
[M+H-H2O]+ 300.10246 165.0
[M+HCOO]- 362.10340 195.3
[M+CH3COO]- 376.11905 208.0
[M+Na-2H]- 338.07987 175.7
[M]+ 317.10465 171.7
[M]- 317.10575 171.7
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