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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.079076	144.1
[M+Na]+	242.061018	155.0
[M-H]-	218.064524	148.1
[M+NH4]+	237.105623	163.7
[M+K]+	258.034958	150.5
[M+H-H2O]+	202.069060	137.8
[M+HCOO]-	264.070001	161.6
[M+CH3COO]-	278.085651	188.9
[M+Na-2H]-	240.046466	148.9
[M]+	219.07125142	148.6
[M]-	219.07234858	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe