CID 2049898

67617-99-6

Structural Information

Molecular Formula

C₉H₁₀N₂O₂S

SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N

InChI

InChI=1S/C9H10N2O2S/c1-12-5-3-4-6(13-2)8-7(5)11-9(10)14-8/h3-4H,1-2H3,(H2,10,11)

InChIKey

GVDOKYBXIQWKJG-UHFFFAOYSA-N

Compound name

4,7-dimethoxy-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 210.0463 Da
Monoisotopic Mass: 2.0
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]+	211.05358	140.5
[M+Na]+	233.03552	152.6
[M-H]-	209.03902	144.9
[M+NH4]+	228.08012	161.9
[M+K]+	249.00946	149.5
[M+H-H2O]+	193.04356	134.9
[M+HCOO]-	255.04450	161.6
[M+CH3COO]-	269.06015	186.6
[M+Na-2H]-	231.02097	144.8
[M]+	210.04575	146.8
[M]-	210.04685	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe