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 186.0
[M+Na]+ 364.15325 197.2
[M-H]- 340.15675 188.1
[M+NH4]+ 359.19785 196.8
[M+K]+ 380.12719 187.0
[M+H-H2O]+ 324.16129 168.5
[M+HCOO]- 386.16223 201.3
[M+CH3COO]- 400.17788 193.9
[M+Na-2H]- 362.13870 189.4
[M]+ 341.16348 182.5
[M]- 341.16458 182.5
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.