CID 3737044

1-anilino-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile

Structural Information

Molecular Formula
C27H30N4
SMILES
CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC4=CC=CC=C4
InChI
InChI=1S/C27H30N4/c1-3-4-5-6-7-11-16-22-20(2)23(19-28)27-30-24-17-12-13-18-25(24)31(27)26(22)29-21-14-9-8-10-15-21/h8-10,12-15,17-18,29H,3-7,11,16H2,1-2H3
InChIKey
PVTNRZOSPFZLQQ-UHFFFAOYSA-N
Compound name
1-anilino-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.24704 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.25432 206.9
[M+Na]+ 433.23626 217.1
[M-H]- 409.23976 209.8
[M+NH4]+ 428.28086 216.9
[M+K]+ 449.21020 205.2
[M+H-H2O]+ 393.24430 189.4
[M+HCOO]- 455.24524 222.6
[M+CH3COO]- 469.26089 213.7
[M+Na-2H]- 431.22171 207.7
[M]+ 410.24649 205.7
[M]- 410.24759 205.7
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.