CID 940161

611197-82-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16403 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17131 187.9
[M+Na]+ 364.15325 202.9
[M+NH4]+ 359.19785 192.4
[M+K]+ 380.12719 192.2
[M-H]- 340.15675 185.0
[M+Na-2H]- 362.13870 192.6
[M]+ 341.16348 188.6
[M]- 341.16458 188.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.