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

268
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 181.8
[M+Na]+ 369.07018 191.9
[M-H]- 345.07368 187.9
[M+NH4]+ 364.11478 197.7
[M+K]+ 385.04412 186.5
[M+H-H2O]+ 329.07822 177.3
[M+HCOO]- 391.07916 189.3
[M+CH3COO]- 405.09481 192.3
[M+Na-2H]- 367.05563 175.1
[M]+ 346.08041 185.1
[M]- 346.08151 185.1
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

patents stripe