CID 746801

19368-09-3

Structural Information

Molecular Formula
C15H11NO5
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)O
InChI
InChI=1S/C15H11NO5/c17-13(11-6-1-2-7-12(11)15(20)21)16-10-5-3-4-9(8-10)14(18)19/h1-8H,(H,16,17)(H,18,19)(H,20,21)
InChIKey
DAIJYESEGBNTJK-UHFFFAOYSA-N
Compound name
2-[(3-carboxyphenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

285.06372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07100 162.7
[M+Na]+ 308.05294 173.4
[M+NH4]+ 303.09754 167.8
[M+K]+ 324.02688 169.8
[M-H]- 284.05644 164.1
[M+Na-2H]- 306.03839 168.5
[M]+ 285.06317 164.2
[M]- 285.06427 164.2
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