CID 2161

Amlexanox

Structural Information

Molecular Formula
C16H14N2O4
SMILES
CC(C)C1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)O)N
InChI
InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21)
InChIKey
SGRYPYWGNKJSDL-UHFFFAOYSA-N
Compound name
2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

175
References

6463
Patents

298.09537 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10265 166.8
[M+Na]+ 321.08459 177.8
[M-H]- 297.08809 171.2
[M+NH4]+ 316.12919 180.7
[M+K]+ 337.05853 174.8
[M+H-H2O]+ 281.09263 159.0
[M+HCOO]- 343.09357 185.6
[M+CH3COO]- 357.10922 207.3
[M+Na-2H]- 319.07004 172.3
[M]+ 298.09482 170.8
[M]- 298.09592 170.8
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.