CID 706089

611197-77-4

Structural Information

Molecular Formula
C21H24N4
SMILES
CC(C)C1=C(C2=NC3=CC=CC=C3N2C(=C1)NC4CCCCC4)C#N
InChI
InChI=1S/C21H24N4/c1-14(2)16-12-20(23-15-8-4-3-5-9-15)25-19-11-7-6-10-18(19)24-21(25)17(16)13-22/h6-7,10-12,14-15,23H,3-5,8-9H2,1-2H3
InChIKey
ULVPFHBRNOJSBA-UHFFFAOYSA-N
Compound name
1-(cyclohexylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

332.2001 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20738 183.1
[M+Na]+ 355.18932 192.3
[M-H]- 331.19282 186.2
[M+NH4]+ 350.23392 195.7
[M+K]+ 371.16326 182.2
[M+H-H2O]+ 315.19736 166.9
[M+HCOO]- 377.19830 196.3
[M+CH3COO]- 391.21395 190.8
[M+Na-2H]- 353.17477 184.2
[M]+ 332.19955 175.8
[M]- 332.20065 175.8
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.