CID 108137

76081-98-6

Structural Information

Molecular Formula
C17H15N3O
SMILES
CC1=C(N2C=CC=C(C2=N1)OCC3=CC=CC=C3)CC#N
InChI
InChI=1S/C17H15N3O/c1-13-15(9-10-18)20-11-5-8-16(17(20)19-13)21-12-14-6-3-2-4-7-14/h2-8,11H,9,12H2,1H3
InChIKey
PYKJFEPAUKAXNN-UHFFFAOYSA-N
Compound name
2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

223
References

395
Patents

277.12152 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.128796 165.6
[M+Na]+ 300.110738 177.8
[M-H]- 276.114244 168.9
[M+NH4]+ 295.155343 179.8
[M+K]+ 316.084678 170.0
[M+H-H2O]+ 260.118780 149.6
[M+HCOO]- 322.119721 184.3
[M+CH3COO]- 336.135371 176.1
[M+Na-2H]- 298.096186 170.0
[M]+ 277.12097142 164.0
[M]- 277.12206858 164.0
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