CID 459349

2-amino-4-(2-carboxybenzoyl)benzoic acid

Structural Information

Molecular Formula
C15H11NO5
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)C(=O)O)N)C(=O)O
InChI
InChI=1S/C15H11NO5/c16-12-7-8(5-6-11(12)15(20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,16H2,(H,18,19)(H,20,21)
InChIKey
CGTVBJIZXVECAX-UHFFFAOYSA-N
Compound name
2-amino-4-(2-carboxybenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

285.06372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07100 161.3
[M+Na]+ 308.05294 167.9
[M-H]- 284.05644 165.5
[M+NH4]+ 303.09754 174.5
[M+K]+ 324.02688 164.9
[M+H-H2O]+ 268.06098 154.1
[M+HCOO]- 330.06192 181.3
[M+CH3COO]- 344.07757 199.3
[M+Na-2H]- 306.03839 161.7
[M]+ 285.06317 159.7
[M]- 285.06427 159.7
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