CID 13259028

88571-05-5

Structural Information

Molecular Formula
C15H12ClN3O2
SMILES
CC1=CN2C(=NC(=C2CC(=O)O)C3=NC=C(C=C3)Cl)C=C1
InChI
InChI=1S/C15H12ClN3O2/c1-9-2-5-13-18-15(11-4-3-10(16)7-17-11)12(6-14(20)21)19(13)8-9/h2-5,7-8H,6H2,1H3,(H,20,21)
InChIKey
UWGCLVZNNADVLJ-UHFFFAOYSA-N
Compound name
2-[2-(5-chloropyridin-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0618 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06908 166.2
[M+Na]+ 324.05102 178.4
[M-H]- 300.05452 169.7
[M+NH4]+ 319.09562 180.6
[M+K]+ 340.02496 171.7
[M+H-H2O]+ 284.05906 157.7
[M+HCOO]- 346.06000 181.5
[M+CH3COO]- 360.07565 178.0
[M+Na-2H]- 322.03647 169.9
[M]+ 301.06125 171.4
[M]- 301.06235 171.4
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.