CID 3077029

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

Structural Information

Molecular Formula
C17H21N3O
SMILES
CCCCN1C2=CC=CC=C2C3=C(C1=O)N=CN3C(C)C
InChI
InChI=1S/C17H21N3O/c1-4-5-10-19-14-9-7-6-8-13(14)16-15(17(19)21)18-11-20(16)12(2)3/h6-9,11-12H,4-5,10H2,1-3H3
InChIKey
QXYVSIHMASHKBB-UHFFFAOYSA-N
Compound name
5-butyl-1-propan-2-ylimidazo[4,5-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

283.16846 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 168.9
[M+Na]+ 306.15768 180.1
[M-H]- 282.16118 171.1
[M+NH4]+ 301.20228 185.3
[M+K]+ 322.13162 174.5
[M+H-H2O]+ 266.16572 160.2
[M+HCOO]- 328.16666 187.8
[M+CH3COO]- 342.18231 180.6
[M+Na-2H]- 304.14313 172.8
[M]+ 283.16791 174.4
[M]- 283.16901 174.4
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