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 151.7
[M+Na]+ 259.05117 161.8
[M-H]- 235.05467 157.2
[M+NH4]+ 254.09577 168.6
[M+K]+ 275.02511 158.5
[M+H-H2O]+ 219.05921 145.2
[M+HCOO]- 281.06015 166.2
[M+CH3COO]- 295.07580 188.7
[M+Na-2H]- 257.03662 150.5
[M]+ 236.06140 152.5
[M]- 236.06250 152.5
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.