CID 293007

15247-73-1

Structural Information

Molecular Formula
C15H13NO3
SMILES
CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)N
InChI
InChI=1S/C15H13NO3/c1-9-6-7-10(8-13(9)16)14(17)11-4-2-3-5-12(11)15(18)19/h2-8H,16H2,1H3,(H,18,19)
InChIKey
WLJOSECGCGIVLK-UHFFFAOYSA-N
Compound name
2-(3-amino-4-methylbenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.08954 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09682 156.6
[M+Na]+ 278.07876 164.1
[M-H]- 254.08226 162.2
[M+NH4]+ 273.12336 172.2
[M+K]+ 294.05270 160.4
[M+H-H2O]+ 238.08680 149.4
[M+HCOO]- 300.08774 178.5
[M+CH3COO]- 314.10339 196.8
[M+Na-2H]- 276.06421 158.4
[M]+ 255.08899 155.3
[M]- 255.09009 155.3
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.