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
7
Annotation Hits

175
References

6524
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

literature stripe

Patent stripe

patents stripe