CID 3157181

305333-69-1

Structural Information

Molecular Formula
C16H16N4
SMILES
CCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C
InChI
InChI=1S/C16H16N4/c1-3-8-18-15-9-11(2)12(10-17)16-19-13-6-4-5-7-14(13)20(15)16/h4-7,9,18H,3,8H2,1-2H3
InChIKey
YOFUPKBTXKLOAV-UHFFFAOYSA-N
Compound name
3-methyl-1-(propylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

264.13748 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14476 163.8
[M+Na]+ 287.12670 176.4
[M-H]- 263.13020 165.6
[M+NH4]+ 282.17130 179.8
[M+K]+ 303.10064 168.3
[M+H-H2O]+ 247.13474 148.9
[M+HCOO]- 309.13568 182.2
[M+CH3COO]- 323.15133 174.3
[M+Na-2H]- 285.11215 169.1
[M]+ 264.13693 161.7
[M]- 264.13803 161.7
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.