CID 102361

3024-56-4

Structural Information

Molecular Formula
C17H18N2O2S2
SMILES
CCN1C2=CC=CC=C2SC1=CC(=C3C(=O)N(C(=S)O3)CC)C
InChI
InChI=1S/C17H18N2O2S2/c1-4-18-12-8-6-7-9-13(12)23-14(18)10-11(3)15-16(20)19(5-2)17(22)21-15/h6-10H,4-5H2,1-3H3
InChIKey
OCWJMGGWBJHHFP-UHFFFAOYSA-N
Compound name
3-ethyl-5-[1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-ylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

346.08096 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08824 183.3
[M+Na]+ 369.07018 193.2
[M+NH4]+ 364.11478 190.3
[M+K]+ 385.04412 186.6
[M-H]- 345.07368 186.1
[M+Na-2H]- 367.05563 183.4
[M]+ 346.08041 186.2
[M]- 346.08151 186.2
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