CID 3051702

Brn 0832462

Structural Information

Molecular Formula
C17H10N2OS3
SMILES
C1=CC=C(C=C1)C(=S)OC2=NC(=CS2)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C17H10N2OS3/c21-16(11-6-2-1-3-7-11)20-17-19-13(10-22-17)15-18-12-8-4-5-9-14(12)23-15/h1-10H
InChIKey
CUCNTMFXTROONL-UHFFFAOYSA-N
Compound name
O-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl] benzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.9955 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.00278 177.6
[M+Na]+ 376.98472 191.3
[M-H]- 352.98822 186.9
[M+NH4]+ 372.02932 194.2
[M+K]+ 392.95866 183.7
[M+H-H2O]+ 336.99276 172.9
[M+HCOO]- 398.99370 187.4
[M+CH3COO]- 413.00935 189.4
[M+Na-2H]- 374.97017 177.3
[M]+ 353.99495 183.1
[M]- 353.99605 183.1
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.