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-methyl-2-pyridinylidene)-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.069226	151.7
[M+Na]+	259.051168	161.8
[M-H]-	235.054674	157.2
[M+NH4]+	254.095773	168.6
[M+K]+	275.025108	158.5
[M+H-H2O]+	219.059210	145.2
[M+HCOO]-	281.060151	166.2
[M+CH3COO]-	295.075801	188.7
[M+Na-2H]-	257.036616	150.5
[M]+	236.06140142	152.5
[M]-	236.06249858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.