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 175.6
[M+Na]+ 343.15292 186.6
[M-H]- 319.15642 177.2
[M+NH4]+ 338.19752 189.9
[M+K]+ 359.12686 176.7
[M+H-H2O]+ 303.16096 160.0
[M+HCOO]- 365.16190 190.3
[M+CH3COO]- 379.17755 184.3
[M+Na-2H]- 341.13837 180.4
[M]+ 320.16315 171.9
[M]- 320.16425 171.9
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.