CID 3077033

4h-imidazo(4,5-c)quinolin-4-one, 1,5-dihydro-5-butyl-7-chloro-1-methyl-, hydrochloride (4:3)

Structural Information

Molecular Formula
C15H16ClN3O
SMILES
CCCCN1C2=C(C=CC(=C2)Cl)C3=C(C1=O)N=CN3C
InChI
InChI=1S/C15H16ClN3O/c1-3-4-7-19-12-8-10(16)5-6-11(12)14-13(15(19)20)17-9-18(14)2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKey
DUDBHKJRMFMDNT-UHFFFAOYSA-N
Compound name
5-butyl-7-chloro-1-methylimidazo[4,5-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

289.09818 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10546 164.7
[M+Na]+ 312.08740 182.0
[M+NH4]+ 307.13200 173.2
[M+K]+ 328.06134 174.6
[M-H]- 288.09090 166.7
[M+Na-2H]- 310.07285 170.6
[M]+ 289.09763 168.2
[M]- 289.09873 168.2
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

patents stripe