CID 3077027

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

Structural Information

Molecular Formula
C17H21N3O
SMILES
CCCCN1C2=CC=CC=C2C3=C(C1=O)N=CN3CCC
InChI
InChI=1S/C17H21N3O/c1-3-5-11-20-14-9-7-6-8-13(14)16-15(17(20)21)18-12-19(16)10-4-2/h6-9,12H,3-5,10-11H2,1-2H3
InChIKey
QYHUORCEQQYVOK-UHFFFAOYSA-N
Compound name
5-butyl-1-propylimidazo[4,5-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

283.16846 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.175736 168.8
[M+Na]+ 306.157678 180.3
[M-H]- 282.161184 170.8
[M+NH4]+ 301.202283 185.3
[M+K]+ 322.131618 174.2
[M+H-H2O]+ 266.165720 159.8
[M+HCOO]- 328.166661 188.7
[M+CH3COO]- 342.182311 180.6
[M+Na-2H]- 304.143126 173.7
[M]+ 283.16791142 174.8
[M]- 283.16900858 174.8
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