CID 3077041

4h-imidazo(4,5-c)quinolin-4-one, 1,5-dihydro-2-cyclopentyl-1-methyl-

Structural Information

Molecular Formula
C16H17N3O
SMILES
CN1C(=NC2=C1C3=CC=CC=C3NC2=O)C4CCCC4
InChI
InChI=1S/C16H17N3O/c1-19-14-11-8-4-5-9-12(11)17-16(20)13(14)18-15(19)10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,17,20)
InChIKey
FJSQWVJGPBFRMX-UHFFFAOYSA-N
Compound name
2-cyclopentyl-1-methyl-5H-imidazo[4,5-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

267.13718 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.144456 161.6
[M+Na]+ 290.126398 172.4
[M-H]- 266.129904 166.0
[M+NH4]+ 285.171003 179.4
[M+K]+ 306.100338 165.9
[M+H-H2O]+ 250.134440 153.4
[M+HCOO]- 312.135381 180.0
[M+CH3COO]- 326.151031 173.5
[M+Na-2H]- 288.111846 163.9
[M]+ 267.13663142 161.3
[M]- 267.13772858 161.3
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