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

112
Patents

220.0129 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.02018 142.0
[M+Na]+ 243.00212 158.4
[M-H]- 219.00562 147.5
[M+NH4]+ 238.04672 166.0
[M+K]+ 258.97606 153.6
[M+H-H2O]+ 203.01016 138.2
[M+HCOO]- 265.01110 157.9
[M+CH3COO]- 279.02675 157.6
[M+Na-2H]- 240.98757 144.8
[M]+ 220.01235 150.9
[M]- 220.01345 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.