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
2
Annotation Hits

0
References

18
Patents

261.1266 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.133876 163.4
[M+Na]+ 284.115818 176.6
[M-H]- 260.119324 167.2
[M+NH4]+ 279.160423 178.7
[M+K]+ 300.089758 168.3
[M+H-H2O]+ 244.123860 147.9
[M+HCOO]- 306.124801 182.0
[M+CH3COO]- 320.140451 174.4
[M+Na-2H]- 282.101266 167.1
[M]+ 261.12605142 161.0
[M]- 261.12714858 161.0
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