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

4
Patents

267.13718 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14446 161.6
[M+Na]+ 290.12640 172.4
[M-H]- 266.12990 166.0
[M+NH4]+ 285.17100 179.4
[M+K]+ 306.10034 165.9
[M+H-H2O]+ 250.13444 153.4
[M+HCOO]- 312.13538 180.0
[M+CH3COO]- 326.15103 173.5
[M+Na-2H]- 288.11185 163.9
[M]+ 267.13663 161.3
[M]- 267.13773 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