CID 274151

25706-29-0

Structural Information

Molecular Formula

C₈H₈N₂S₂

SMILES

CSC1=NC2=C(S1)C=C(C=C2)N

InChI

InChI=1S/C8H8N2S2/c1-11-8-10-6-3-2-5(9)4-7(6)12-8/h2-4H,9H2,1H3

InChIKey

GYCJZSAIEMSFAV-UHFFFAOYSA-N

Compound name

2-methylsulfanyl-1,3-benzothiazol-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 204
Patents: 196.0129 Da
Monoisotopic Mass: 2.4
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]+	197.02018	135.8
[M+Na]+	219.00212	148.5
[M+NH4]+	214.04672	146.2
[M+K]+	234.97606	139.5
[M-H]-	195.00562	139.4
[M+Na-2H]-	216.98757	141.7
[M]+	196.01235	139.6
[M]-	196.01345	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe