CID 3404081

4,7-dimethylquinoline-2-thiol

Structural Information

Molecular Formula
C11H11NS
SMILES
CC1=CC2=C(C=C1)C(=CC(=S)N2)C
InChI
InChI=1S/C11H11NS/c1-7-3-4-9-8(2)6-11(13)12-10(9)5-7/h3-6H,1-2H3,(H,12,13)
InChIKey
VBWHJNKSSZEICG-UHFFFAOYSA-N
Compound name
4,7-dimethyl-1H-quinoline-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

189.06122 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06850 136.0
[M+Na]+ 212.05044 147.1
[M-H]- 188.05394 138.9
[M+NH4]+ 207.09504 156.3
[M+K]+ 228.02438 141.4
[M+H-H2O]+ 172.05848 130.5
[M+HCOO]- 234.05942 152.1
[M+CH3COO]- 248.07507 149.6
[M+Na-2H]- 210.03589 140.9
[M]+ 189.06067 136.9
[M]- 189.06177 136.9
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