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

7
Patents

262.05896 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.06624 155.2
[M+Na]+ 285.04818 163.1
[M-H]- 261.05168 159.8
[M+NH4]+ 280.09278 169.2
[M+K]+ 301.02212 161.7
[M+H-H2O]+ 245.05622 148.1
[M+HCOO]- 307.05716 176.2
[M+CH3COO]- 321.07281 192.5
[M+Na-2H]- 283.03363 157.9
[M]+ 262.05841 156.7
[M]- 262.05951 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