CID 13620388

768398-03-4

Structural Information

Molecular Formula
C17H15N3
SMILES
CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC#N
InChI
InChI=1S/C17H15N3/c1-12-3-6-14(7-4-12)17-15(9-10-18)20-11-13(2)5-8-16(20)19-17/h3-8,11H,9H2,1-2H3
InChIKey
OLZONQCQODMZSS-UHFFFAOYSA-N
Compound name
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

261.1266 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13388 162.6
[M+Na]+ 284.11582 178.5
[M+NH4]+ 279.16042 168.0
[M+K]+ 300.08976 168.0
[M-H]- 260.11932 159.5
[M+Na-2H]- 282.10127 168.6
[M]+ 261.12605 163.4
[M]- 261.12715 163.4
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