CID 680348

1-(benzylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile

Structural Information

Molecular Formula
C20H16N4
SMILES
CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC4=CC=CC=C4)C#N
InChI
InChI=1S/C20H16N4/c1-14-11-19(22-13-15-7-3-2-4-8-15)24-18-10-6-5-9-17(18)23-20(24)16(14)12-21/h2-11,22H,13H2,1H3
InChIKey
FWACMYKLAGVWIP-UHFFFAOYSA-N
Compound name
1-(benzylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.13748 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.144756 178.9
[M+Na]+ 335.126698 191.5
[M-H]- 311.130204 182.8
[M+NH4]+ 330.171303 192.4
[M+K]+ 351.100638 180.7
[M+H-H2O]+ 295.134740 162.6
[M+HCOO]- 357.135681 196.9
[M+CH3COO]- 371.151331 188.3
[M+Na-2H]- 333.112146 183.8
[M]+ 312.13693142 175.5
[M]- 312.13802858 175.5
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.