CID 606379

41504-13-6

Structural Information

Molecular Formula
C13H12N2OS3
SMILES
CCN1C(=O)C(=C2N(C3=CC=CC=C3S2)C)SC1=S
InChI
InChI=1S/C13H12N2OS3/c1-3-15-11(16)10(19-13(15)17)12-14(2)8-6-4-5-7-9(8)18-12/h4-7H,3H2,1-2H3
InChIKey
BXNZOCAILBRXHJ-UHFFFAOYSA-N
Compound name
3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

308.01117 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.01845 167.8
[M+Na]+ 331.00039 180.0
[M-H]- 307.00389 173.0
[M+NH4]+ 326.04499 186.5
[M+K]+ 346.97433 172.8
[M+H-H2O]+ 291.00843 164.2
[M+HCOO]- 353.00937 172.4
[M+CH3COO]- 367.02502 179.0
[M+Na-2H]- 328.98584 162.6
[M]+ 308.01062 169.3
[M]- 308.01172 169.3
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

patents stripe