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]+ 333.207376 183.1
[M+Na]+ 355.189318 192.3
[M-H]- 331.192824 186.2
[M+NH4]+ 350.233923 195.7
[M+K]+ 371.163258 182.2
[M+H-H2O]+ 315.197360 166.9
[M+HCOO]- 377.198301 196.3
[M+CH3COO]- 391.213951 190.8
[M+Na-2H]- 353.174766 184.2
[M]+ 332.19955142 175.8
[M]- 332.20064858 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.