CID 3073014

3-methyl-2-(((5-methyl-3-isoxazolyl)carbonyl)amino)benzoic acid

Structural Information

Molecular Formula
C13H12N2O4
SMILES
CC1=C(C(=CC=C1)C(=O)O)NC(=O)C2=NOC(=C2)C
InChI
InChI=1S/C13H12N2O4/c1-7-4-3-5-9(13(17)18)11(7)14-12(16)10-6-8(2)19-15-10/h3-6H,1-2H3,(H,14,16)(H,17,18)
InChIKey
GGPLUNVJAKXXJD-UHFFFAOYSA-N
Compound name
3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0797 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08698 157.8
[M+Na]+ 283.06892 168.7
[M+NH4]+ 278.11352 163.3
[M+K]+ 299.04286 167.1
[M-H]- 259.07242 160.3
[M+Na-2H]- 281.05437 162.4
[M]+ 260.07915 159.7
[M]- 260.08025 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

No patent data available for this compound.