CID 3018244

71720-53-1

Structural Information

Molecular Formula

C₁₀H₁₂N₂OS

SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC

InChI

InChI=1S/C10H12N2OS/c1-3-13-7-4-5-8-9(6-7)14-10(11-2)12-8/h4-6H,3H2,1-2H3,(H,11,12)

InChIKey

QWYAAGWZTKAZFC-UHFFFAOYSA-N

Compound name

6-ethoxy-N-methyl-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 208.06703 Da
Monoisotopic Mass: 3.4
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]+	209.074306	141.3
[M+Na]+	231.056248	152.2
[M-H]-	207.059754	145.7
[M+NH4]+	226.100853	162.8
[M+K]+	247.030188	148.8
[M+H-H2O]+	191.064290	135.3
[M+HCOO]-	253.065231	162.5
[M+CH3COO]-	267.080881	187.0
[M+Na-2H]-	229.041696	146.6
[M]+	208.06648142	147.0
[M]-	208.06757858	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe