CID 741391

Dtxsid60353448

Structural Information

Molecular Formula
C11H12N2O2S
SMILES
CCN1C(=O)C(=C2C=CC=CN2C)OC1=S
InChI
InChI=1S/C11H12N2O2S/c1-3-13-10(14)9(15-11(13)16)8-6-4-5-7-12(8)2/h4-7H,3H2,1-2H3
InChIKey
DCMDXVNPHXCCCH-UHFFFAOYSA-N
Compound name
3-ethyl-5-(1-methylpyridin-2-ylidene)-2-sulfanylidene-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

236.06195 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06923 154.5
[M+Na]+ 259.05117 166.3
[M+NH4]+ 254.09577 161.7
[M+K]+ 275.02511 160.3
[M-H]- 235.05467 157.4
[M+Na-2H]- 257.03662 157.7
[M]+ 236.06140 157.3
[M]- 236.06250 157.3
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

No patent data available for this compound.