CID 25058

10220-35-6

Structural Information

Molecular Formula

C₁₀H₁₂N₂S₂

SMILES

CN(C)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C10H12N2S2/c1-12(2)7-13-10-11-8-5-3-4-6-9(8)14-10/h3-6H,7H2,1-2H3

InChIKey

SLOMIKLOVPVEAX-UHFFFAOYSA-N

Compound name

1-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 224.04419 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]+	225.051466	143.8
[M+Na]+	247.033408	154.6
[M-H]-	223.036914	149.1
[M+NH4]+	242.078013	165.4
[M+K]+	263.007348	150.8
[M+H-H2O]+	207.041450	137.9
[M+HCOO]-	269.042391	159.6
[M+CH3COO]-	283.058041	157.7
[M+Na-2H]-	245.018856	147.0
[M]+	224.04364142	150.0
[M]-	224.04473858	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe