CID 391677

Nsc691219

Structural Information

Molecular Formula
C25H20N4O
SMILES
COC1=CC=CC(=C1)CCNC2=C(C3=NC4=CC=CC=C4N3C5=CC=CC=C52)C#N
InChI
InChI=1S/C25H20N4O/c1-30-18-8-6-7-17(15-18)13-14-27-24-19-9-2-4-11-22(19)29-23-12-5-3-10-21(23)28-25(29)20(24)16-26/h2-12,15,27H,13-14H2,1H3
InChIKey
NRZNDDWCPDWYAN-UHFFFAOYSA-N
Compound name
5-[2-(3-methoxyphenyl)ethylamino]benzimidazolo[1,2-a]quinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1637 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.17098 201.2
[M+Na]+ 415.15292 214.3
[M-H]- 391.15642 205.5
[M+NH4]+ 410.19752 212.3
[M+K]+ 431.12686 201.6
[M+H-H2O]+ 375.16096 183.8
[M+HCOO]- 437.16190 218.3
[M+CH3COO]- 451.17755 209.1
[M+Na-2H]- 413.13837 206.0
[M]+ 392.16315 200.5
[M]- 392.16425 200.5
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.