CID 16782951

3-(5-methyl-1,2-oxazole-4-amido)benzoic acid

Structural Information

Molecular Formula
C12H10N2O4
SMILES
CC1=C(C=NO1)C(=O)NC2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C12H10N2O4/c1-7-10(6-13-18-7)11(15)14-9-4-2-3-8(5-9)12(16)17/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKey
ROGQUCAEHRKRME-UHFFFAOYSA-N
Compound name
3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.06406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07134 153.3
[M+Na]+ 269.05328 164.1
[M+NH4]+ 264.09788 159.0
[M+K]+ 285.02722 162.5
[M-H]- 245.05678 155.9
[M+Na-2H]- 267.03873 158.5
[M]+ 246.06351 155.2
[M]- 246.06461 155.2
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

No patent data available for this compound.