CID 830175

612522-91-5

Structural Information

Molecular Formula
C21H19N5
SMILES
CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC4=CN=CC=C4)C#N
InChI
InChI=1S/C21H19N5/c1-2-6-16-11-20(24-14-15-7-5-10-23-13-15)26-19-9-4-3-8-18(19)25-21(26)17(16)12-22/h3-5,7-11,13,24H,2,6,14H2,1H3
InChIKey
WJUYRENXUVYLQD-UHFFFAOYSA-N
Compound name
3-propyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

341.16403 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17131 184.5
[M+Na]+ 364.15325 196.1
[M-H]- 340.15675 186.5
[M+NH4]+ 359.19785 195.4
[M+K]+ 380.12719 185.4
[M+H-H2O]+ 324.16129 166.8
[M+HCOO]- 386.16223 200.7
[M+CH3COO]- 400.17788 192.6
[M+Na-2H]- 362.13870 189.0
[M]+ 341.16348 181.6
[M]- 341.16458 181.6
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

No patent data available for this compound.