CID 18914

3432-25-5

Structural Information

Molecular Formula

C₁₀H₁₀N₂S₃

SMILES

CN(C)C(=S)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C10H10N2S3/c1-12(2)10(13)15-9-11-7-5-3-4-6-8(7)14-9/h3-6H,1-2H3

InChIKey

DQXSUEZFMYQFSC-UHFFFAOYSA-N

Compound name

1,3-benzothiazol-2-yl N,N-dimethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 254.00061 Da
Monoisotopic Mass: 3.5
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]+	255.00789	150.3
[M+Na]+	276.98983	161.1
[M-H]-	252.99333	154.8
[M+NH4]+	272.03443	170.3
[M+K]+	292.96377	155.5
[M+H-H2O]+	236.99787	144.9
[M+HCOO]-	298.99881	159.0
[M+CH3COO]-	313.01446	162.7
[M+Na-2H]-	274.97528	151.6
[M]+	254.00006	154.6
[M]-	254.00116	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe