CID 766609

10023-29-7

Structural Information

Molecular Formula

C₉H₇N₃S₂

SMILES

CC1=NC2=C(S1)C3=C(C=C2)N=C(S3)N

InChI

InChI=1S/C9H7N3S2/c1-4-11-5-2-3-6-8(7(5)13-4)14-9(10)12-6/h2-3H,1H3,(H2,10,12)

InChIKey

LINJMDWVMVEFLA-UHFFFAOYSA-N

Compound name

7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 221.00813 Da
Monoisotopic Mass: 2.9
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]+	222.01541	141.6
[M+Na]+	243.99735	155.2
[M+NH4]+	239.04195	152.1
[M+K]+	259.97129	147.9
[M-H]-	220.00085	144.9
[M+Na-2H]-	241.98280	147.1
[M]+	221.00758	145.5
[M]-	221.00868	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe