CID 676907

7-methoxy-4-methylquinoline-2-thiol

Structural Information

Molecular Formula
C11H11NOS
SMILES
CC1=CC(=S)NC2=C1C=CC(=C2)OC
InChI
InChI=1S/C11H11NOS/c1-7-5-11(14)12-10-6-8(13-2)3-4-9(7)10/h3-6H,1-2H3,(H,12,14)
InChIKey
QJNQZUVUCGOPFS-UHFFFAOYSA-N
Compound name
7-methoxy-4-methyl-1H-quinoline-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

205.05614 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.063416 139.9
[M+Na]+ 228.045358 150.8
[M-H]- 204.048864 142.7
[M+NH4]+ 223.089963 159.4
[M+K]+ 244.019298 145.6
[M+H-H2O]+ 188.053400 134.2
[M+HCOO]- 250.054341 156.2
[M+CH3COO]- 264.069991 153.2
[M+Na-2H]- 226.030806 144.8
[M]+ 205.05559142 142.2
[M]- 205.05668858 142.2
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.