CID 3077031

4h-imidazo(4,5-c)quinolin-4-one, 1,5-dihydro-1,5-dibutyl-, monohydrochloride

Structural Information

Molecular Formula
C18H23N3O
SMILES
CCCCN1C=NC2=C1C3=CC=CC=C3N(C2=O)CCCC
InChI
InChI=1S/C18H23N3O/c1-3-5-11-20-13-19-16-17(20)14-9-7-8-10-15(14)21(18(16)22)12-6-4-2/h7-10,13H,3-6,11-12H2,1-2H3
InChIKey
AYMLPZGVCPOLLU-UHFFFAOYSA-N
Compound name
1,5-dibutylimidazo[4,5-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

297.1841 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.191376 173.4
[M+Na]+ 320.173318 184.5
[M-H]- 296.176824 175.2
[M+NH4]+ 315.217923 189.3
[M+K]+ 336.147258 178.1
[M+H-H2O]+ 280.181360 164.2
[M+HCOO]- 342.182301 193.0
[M+CH3COO]- 356.197951 184.8
[M+Na-2H]- 318.158766 177.8
[M]+ 297.18355142 179.8
[M]- 297.18464858 179.8
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

patents stripe