CID 44557636

Dipraglurant

Structural Information

Molecular Formula
C16H12FN3
SMILES
C1=CC=NC(=C1)C#CCCC2=CN3C=C(C=CC3=N2)F
InChI
InChI=1S/C16H12FN3/c17-13-8-9-16-19-15(12-20(16)11-13)7-2-1-5-14-6-3-4-10-18-14/h3-4,6,8-12H,2,7H2
InChIKey
LZXMUJCJAWVHPZ-UHFFFAOYSA-N
Compound name
6-fluoro-2-(4-pyridin-2-ylbut-3-ynyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

368
Patents

265.10153 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10881 159.0
[M+Na]+ 288.09075 171.3
[M-H]- 264.09425 158.2
[M+NH4]+ 283.13535 171.9
[M+K]+ 304.06469 162.0
[M+H-H2O]+ 248.09879 141.8
[M+HCOO]- 310.09973 173.4
[M+CH3COO]- 324.11538 168.4
[M+Na-2H]- 286.07620 163.2
[M]+ 265.10098 153.8
[M]- 265.10208 153.8
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