CID 355876

121105-78-0

Structural Information

Molecular Formula
C13H8ClN3
SMILES
CC1=C(C2=NC3=CC=CC=C3N2C(=C1)Cl)C#N
InChI
InChI=1S/C13H8ClN3/c1-8-6-12(14)17-11-5-3-2-4-10(11)16-13(17)9(8)7-15/h2-6H,1H3
InChIKey
AKFXQYMORAUSBD-UHFFFAOYSA-N
Compound name
1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

109
Patents

241.04068 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04796 154.5
[M+Na]+ 264.02990 170.3
[M-H]- 240.03340 156.7
[M+NH4]+ 259.07450 172.6
[M+K]+ 280.00384 160.9
[M+H-H2O]+ 224.03794 140.9
[M+HCOO]- 286.03888 168.8
[M+CH3COO]- 300.05453 166.4
[M+Na-2H]- 262.01535 160.3
[M]+ 241.04013 154.1
[M]- 241.04123 154.1
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