CID 16773631

67387-58-0

Structural Information

Molecular Formula
C12H10N2O5
SMILES
CC1=C(C=NO1)C(=O)NC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C12H10N2O5/c1-6-9(5-13-19-6)11(16)14-7-2-3-10(15)8(4-7)12(17)18/h2-5,15H,1H3,(H,14,16)(H,17,18)
InChIKey
SLFZLYZZUXLKLI-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

262.05896 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.066236 155.2
[M+Na]+ 285.048178 163.1
[M-H]- 261.051684 159.8
[M+NH4]+ 280.092783 169.2
[M+K]+ 301.022118 161.7
[M+H-H2O]+ 245.056220 148.1
[M+HCOO]- 307.057161 176.2
[M+CH3COO]- 321.072811 192.5
[M+Na-2H]- 283.033626 157.9
[M]+ 262.05841142 156.7
[M]- 262.05950858 156.7
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