CID 78525

1-ethyl-6-methoxyquinoline-2(1h)-thione

Structural Information

Molecular Formula
C12H13NOS
SMILES
CCN1C2=C(C=CC1=S)C=C(C=C2)OC
InChI
InChI=1S/C12H13NOS/c1-3-13-11-6-5-10(14-2)8-9(11)4-7-12(13)15/h4-8H,3H2,1-2H3
InChIKey
XTCNECLGISWWCO-UHFFFAOYSA-N
Compound name
1-ethyl-6-methoxyquinoline-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

219.0718 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07908 144.1
[M+Na]+ 242.06102 155.0
[M-H]- 218.06452 148.1
[M+NH4]+ 237.10562 163.7
[M+K]+ 258.03496 150.5
[M+H-H2O]+ 202.06906 137.8
[M+HCOO]- 264.07000 161.6
[M+CH3COO]- 278.08565 188.9
[M+Na-2H]- 240.04647 148.9
[M]+ 219.07125 148.6
[M]- 219.07235 148.6
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

patents stripe