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]+ 206.06342 139.9
[M+Na]+ 228.04536 150.8
[M-H]- 204.04886 142.7
[M+NH4]+ 223.08996 159.4
[M+K]+ 244.01930 145.6
[M+H-H2O]+ 188.05340 134.2
[M+HCOO]- 250.05434 156.2
[M+CH3COO]- 264.06999 153.2
[M+Na-2H]- 226.03081 144.8
[M]+ 205.05559 142.2
[M]- 205.05669 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.