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]+ 294.16008 172.3
[M+Na]+ 316.14202 185.6
[M-H]- 292.14552 173.2
[M+NH4]+ 311.18662 187.2
[M+K]+ 332.11596 176.3
[M+H-H2O]+ 276.15006 157.9
[M+HCOO]- 338.15100 188.2
[M+CH3COO]- 352.16665 182.1
[M+Na-2H]- 314.12747 175.1
[M]+ 293.15225 170.8
[M]- 293.15335 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.