CID 3051707

2-propanone, 1-(4-(2-benzothiazolyl-2-thiazolyl)thio)-

Structural Information

Molecular Formula
C13H10N2OS3
SMILES
CC(=O)CSC1=NC(=CS1)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C13H10N2OS3/c1-8(16)6-17-13-15-10(7-18-13)12-14-9-4-2-3-5-11(9)19-12/h2-5,7H,6H2,1H3
InChIKey
FIRVIXQTVFRRKF-UHFFFAOYSA-N
Compound name
1-[[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.9955 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.00278 164.8
[M+Na]+ 328.98472 178.2
[M-H]- 304.98822 171.0
[M+NH4]+ 324.02932 183.4
[M+K]+ 344.95866 171.8
[M+H-H2O]+ 288.99276 160.4
[M+HCOO]- 350.99370 173.8
[M+CH3COO]- 365.00935 177.1
[M+Na-2H]- 326.97017 163.7
[M]+ 305.99495 171.2
[M]- 305.99605 171.2
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.