CID 613488

294668-48-7

Structural Information

Molecular Formula
C10H7NOS2
SMILES
CC1=NC2=C(S1)C=C(C3=C2SC=C3)O
InChI
InChI=1S/C10H7NOS2/c1-5-11-9-8(14-5)4-7(12)6-2-3-13-10(6)9/h2-4,12H,1H3
InChIKey
CKCVIZASFQSRBN-UHFFFAOYSA-N
Compound name
2-methylthieno[2,3-e][1,3]benzothiazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

220.9969 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.00418 141.8
[M+Na]+ 243.98612 157.4
[M-H]- 219.98962 147.2
[M+NH4]+ 239.03072 166.2
[M+K]+ 259.96006 152.2
[M+H-H2O]+ 203.99416 138.9
[M+HCOO]- 265.99510 157.6
[M+CH3COO]- 280.01075 157.1
[M+Na-2H]- 241.97157 144.9
[M]+ 220.99635 149.9
[M]- 220.99745 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.