CID 387848

Nsc682008

Structural Information

Molecular Formula
C20H20N4O
SMILES
C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)N5CCOCC5
InChI
InChI=1S/C20H20N4O/c21-13-16-14-5-1-2-6-15(14)20(23-9-11-25-12-10-23)24-18-8-4-3-7-17(18)22-19(16)24/h3-4,7-8H,1-2,5-6,9-12H2
InChIKey
UWKMGBPWOMPPFO-UHFFFAOYSA-N
Compound name
11-morpholin-4-yl-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

332.1637 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.17098 175.0
[M+Na]+ 355.15292 185.4
[M-H]- 331.15642 177.3
[M+NH4]+ 350.19752 185.8
[M+K]+ 371.12686 174.8
[M+H-H2O]+ 315.16096 157.5
[M+HCOO]- 377.16190 183.6
[M+CH3COO]- 391.17755 182.5
[M+Na-2H]- 353.13837 177.9
[M]+ 332.16315 166.9
[M]- 332.16425 166.9
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.