CID 3785412

612037-49-7

Structural Information

Molecular Formula
C19H20N4O
SMILES
CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC=C)NCCOC)C#N
InChI
InChI=1S/C19H20N4O/c1-4-7-14-13(2)15(12-20)19-22-16-8-5-6-9-17(16)23(19)18(14)21-10-11-24-3/h4-6,8-9,21H,1,7,10-11H2,2-3H3
InChIKey
VDOHRGOJDUYPME-UHFFFAOYSA-N
Compound name
1-(2-methoxyethylamino)-3-methyl-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1637 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 178.8
[M+Na]+ 343.15292 191.0
[M-H]- 319.15642 180.5
[M+NH4]+ 338.19752 192.8
[M+K]+ 359.12686 182.5
[M+H-H2O]+ 303.16096 163.5
[M+HCOO]- 365.16190 196.5
[M+CH3COO]- 379.17755 223.2
[M+Na-2H]- 341.13837 182.0
[M]+ 320.16315 178.5
[M]- 320.16425 178.5
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.