CID 3072608

2,3-dihydro-4,8-dimethoxy-9-methyl-2-(1-methylethyl)furo(2,3-b)quinolinium chloride

Structural Information

Molecular Formula
C17H22NO3
SMILES
CC(C)C1CC2=C(C3=C(C(=CC=C3)OC)[N+](=C2O1)C)OC
InChI
InChI=1S/C17H22NO3/c1-10(2)14-9-12-16(20-5)11-7-6-8-13(19-4)15(11)18(3)17(12)21-14/h6-8,10,14H,9H2,1-5H3/q+1
InChIKey
GUIBZZYABLMRRD-UHFFFAOYSA-N
Compound name
4,8-dimethoxy-9-methyl-2-propan-2-yl-2,3-dihydrofuro[2,3-b]quinolin-9-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

432
Patents

288.15997 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16725 169.6
[M+Na]+ 311.14919 179.0
[M-H]- 287.15269 175.2
[M+NH4]+ 306.19379 187.1
[M+K]+ 327.12313 171.6
[M+H-H2O]+ 271.15723 165.6
[M+HCOO]- 333.15817 187.3
[M+CH3COO]- 347.17382 199.5
[M+Na-2H]- 309.13464 174.5
[M]+ 288.15942 174.5
[M]- 288.16052 174.5
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

No patent data available for this compound.