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]+ 321.170976 178.8
[M+Na]+ 343.152918 191.0
[M-H]- 319.156424 180.5
[M+NH4]+ 338.197523 192.8
[M+K]+ 359.126858 182.5
[M+H-H2O]+ 303.160960 163.5
[M+HCOO]- 365.161901 196.5
[M+CH3COO]- 379.177551 223.2
[M+Na-2H]- 341.138366 182.0
[M]+ 320.16315142 178.5
[M]- 320.16424858 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.