CID 2133307

611197-29-6

Structural Information

Molecular Formula
C18H19N3O
SMILES
CCCCCC1=C(C(=C2NC3=CC=CC=C3N2C1=O)C#N)C
InChI
InChI=1S/C18H19N3O/c1-3-4-5-8-13-12(2)14(11-19)17-20-15-9-6-7-10-16(15)21(17)18(13)22/h6-7,9-10,20H,3-5,8H2,1-2H3
InChIKey
MPBQHYPNCVZYKG-UHFFFAOYSA-N
Compound name
3-methyl-1-oxo-2-pentyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

293.1528 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.160076 172.3
[M+Na]+ 316.142018 185.6
[M-H]- 292.145524 173.2
[M+NH4]+ 311.186623 187.2
[M+K]+ 332.115958 176.3
[M+H-H2O]+ 276.150060 157.9
[M+HCOO]- 338.151001 188.2
[M+CH3COO]- 352.166651 182.1
[M+Na-2H]- 314.127466 175.1
[M]+ 293.15225142 170.8
[M]- 293.15334858 170.8
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.