CID 3077018

5-furfuryl-1-methyl-1h,5h-imidazo(4,5-c)quinolin-4-one

Structural Information

Molecular Formula
C16H13N3O2
SMILES
CN1C=NC2=C1C3=CC=CC=C3N(C2=O)CC4=CC=CO4
InChI
InChI=1S/C16H13N3O2/c1-18-10-17-14-15(18)12-6-2-3-7-13(12)19(16(14)20)9-11-5-4-8-21-11/h2-8,10H,9H2,1H3
InChIKey
ICJDHPWFXVPZJI-UHFFFAOYSA-N
Compound name
5-(furan-2-ylmethyl)-1-methylimidazo[4,5-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

279.10077 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 161.3
[M+Na]+ 302.08999 175.6
[M-H]- 278.09349 168.9
[M+NH4]+ 297.13459 178.2
[M+K]+ 318.06393 171.0
[M+H-H2O]+ 262.09803 153.2
[M+HCOO]- 324.09897 184.6
[M+CH3COO]- 338.11462 175.4
[M+Na-2H]- 300.07544 167.3
[M]+ 279.10022 168.9
[M]- 279.10132 168.9
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