CID 510449

4-(2-furylmethylsulfanyl)-6-methoxy-3-methyl-1h-pyrazolo[3,4-b]quinoline

Structural Information

Molecular Formula
C17H15N3O2S
SMILES
CC1=C2C(=C3C=C(C=CC3=NC2=NN1)OC)SCC4=CC=CO4
InChI
InChI=1S/C17H15N3O2S/c1-10-15-16(23-9-12-4-3-7-22-12)13-8-11(21-2)5-6-14(13)18-17(15)20-19-10/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKey
PZHZMDYUNLDVDO-UHFFFAOYSA-N
Compound name
4-(furan-2-ylmethylsulfanyl)-6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.0885 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.09578 172.9
[M+Na]+ 348.07772 187.1
[M-H]- 324.08122 179.5
[M+NH4]+ 343.12232 188.5
[M+K]+ 364.05166 181.9
[M+H-H2O]+ 308.08576 166.4
[M+HCOO]- 370.08670 190.0
[M+CH3COO]- 384.10235 185.8
[M+Na-2H]- 346.06317 175.6
[M]+ 325.08795 182.6
[M]- 325.08905 182.6
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

No patent data available for this compound.