CID 3157187

612523-20-3

Structural Information

Molecular Formula
C19H20N4O
SMILES
COCCNC1=C2CCCCC2=C(C3=NC4=CC=CC=C4N13)C#N
InChI
InChI=1S/C19H20N4O/c1-24-11-10-21-18-14-7-3-2-6-13(14)15(12-20)19-22-16-8-4-5-9-17(16)23(18)19/h4-5,8-9,21H,2-3,6-7,10-11H2,1H3
InChIKey
RJORMKYXSIXSDK-UHFFFAOYSA-N
Compound name
11-(2-methoxyethylamino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
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 182.6
[M+Na]+ 343.15292 195.6
[M+NH4]+ 338.19752 187.7
[M+K]+ 359.12686 185.0
[M-H]- 319.15642 178.4
[M+Na-2H]- 341.13837 184.0
[M]+ 320.16315 182.4
[M]- 320.16425 182.4
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.