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 166.3
[M+Na]+ 312.08740 180.4
[M-H]- 288.09090 168.8
[M+NH4]+ 307.13200 183.7
[M+K]+ 328.06134 173.2
[M+H-H2O]+ 272.09544 158.3
[M+HCOO]- 334.09638 182.2
[M+CH3COO]- 348.11203 178.9
[M+Na-2H]- 310.07285 171.1
[M]+ 289.09763 174.1
[M]- 289.09873 174.1
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