CID 373493

1-chloro-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

Structural Information

Molecular Formula
C15H11Cl2N3
SMILES
CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCCl)Cl)C#N
InChI
InChI=1S/C15H11Cl2N3/c1-9-10(6-7-16)14(17)20-13-5-3-2-4-12(13)19-15(20)11(9)8-18/h2-5H,6-7H2,1H3
InChIKey
FUFPNFLKYVGOQV-UHFFFAOYSA-N
Compound name
1-chloro-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

303.033 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04028 169.4
[M+Na]+ 326.02222 185.5
[M-H]- 302.02572 170.9
[M+NH4]+ 321.06682 185.8
[M+K]+ 341.99616 174.8
[M+H-H2O]+ 286.03026 156.1
[M+HCOO]- 348.03120 178.4
[M+CH3COO]- 362.04685 180.0
[M+Na-2H]- 324.00767 172.7
[M]+ 303.03245 170.9
[M]- 303.03355 170.9
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

No patent data available for this compound.