CID 13259020

2-(5-bromo-2-furanyl)-6-methylimidazo(1,2-a)pyridine-3-acetic acid

Structural Information

Molecular Formula
C14H11BrN2O3
SMILES
CC1=CN2C(=NC(=C2CC(=O)O)C3=CC=C(O3)Br)C=C1
InChI
InChI=1S/C14H11BrN2O3/c1-8-2-5-12-16-14(10-3-4-11(15)20-10)9(6-13(18)19)17(12)7-8/h2-5,7H,6H2,1H3,(H,18,19)
InChIKey
GOPCZHQRWDJLPC-UHFFFAOYSA-N
Compound name
2-[2-(5-bromofuran-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

333.9953 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.00258 168.0
[M+Na]+ 356.98452 182.3
[M-H]- 332.98802 176.7
[M+NH4]+ 352.02912 186.1
[M+K]+ 372.95846 172.0
[M+H-H2O]+ 316.99256 167.8
[M+HCOO]- 378.99350 187.6
[M+CH3COO]- 393.00915 182.7
[M+Na-2H]- 354.96997 171.6
[M]+ 333.99475 191.5
[M]- 333.99585 191.5
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.