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]+ 321.170976 175.6
[M+Na]+ 343.152918 186.6
[M-H]- 319.156424 177.2
[M+NH4]+ 338.197523 189.9
[M+K]+ 359.126858 176.7
[M+H-H2O]+ 303.160960 160.0
[M+HCOO]- 365.161901 190.3
[M+CH3COO]- 379.177551 184.3
[M+Na-2H]- 341.138366 180.4
[M]+ 320.16315142 171.9
[M]- 320.16424858 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.