CID 387843

1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile

Structural Information

Molecular Formula
C14H11N3
SMILES
CC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C
InChI
InChI=1S/C14H11N3/c1-9-7-10(2)17-13-6-4-3-5-12(13)16-14(17)11(9)8-15/h3-7H,1-2H3
InChIKey
VEEHUUCFPCGPKD-UHFFFAOYSA-N
Compound name
1,3-dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

221.09529 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10257 151.6
[M+Na]+ 244.08451 166.1
[M-H]- 220.08801 153.9
[M+NH4]+ 239.12911 169.6
[M+K]+ 260.05845 158.1
[M+H-H2O]+ 204.09255 137.4
[M+HCOO]- 266.09349 169.8
[M+CH3COO]- 280.10914 163.5
[M+Na-2H]- 242.06996 157.4
[M]+ 221.09474 149.6
[M]- 221.09584 149.6
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