CID 4253387

13399-12-7

Structural Information

Molecular Formula

C₁₀H₈N₂S₂

SMILES

CC1=NC2=CC3=C(C=C2S1)N=C(S3)C

InChI

InChI=1S/C10H8N2S2/c1-5-11-7-3-10-8(4-9(7)13-5)12-6(2)14-10/h3-4H,1-2H3

InChIKey

SLDSUXINRYHMCN-UHFFFAOYSA-N

Compound name

2,6-dimethyl-[1,3]thiazolo[5,4-f][1,3]benzothiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 88
Patents: 220.0129 Da
Monoisotopic Mass: 3.6
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]+	221.02018	143.2
[M+Na]+	243.00212	158.2
[M+NH4]+	238.04672	154.2
[M+K]+	258.97606	149.9
[M-H]-	219.00562	146.5
[M+Na-2H]-	240.98757	148.9
[M]+	220.01235	147.5
[M]-	220.01345	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe