CID 3016285

41560-92-3

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂S

SMILES

CCN1C(=O)C(=C(C)C=C2CCCN2C)OC1=S

InChI

InChI=1S/C13H18N2O2S/c1-4-15-12(16)11(17-13(15)18)9(2)8-10-6-5-7-14(10)3/h8H,4-7H2,1-3H3

InChIKey

LEOSWUSPSSGMKS-UHFFFAOYSA-N

Compound name

3-ethyl-5-[1-(1-methylpyrrolidin-2-ylidene)propan-2-ylidene]-2-sulfanylidene-1,3-oxazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.1089 Da
Monoisotopic Mass: 2.8
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]+	267.116176	164.5
[M+Na]+	289.098118	172.5
[M-H]-	265.101624	169.5
[M+NH4]+	284.142723	181.8
[M+K]+	305.072058	169.6
[M+H-H2O]+	249.106160	158.8
[M+HCOO]-	311.107101	176.8
[M+CH3COO]-	325.122751	194.8
[M+Na-2H]-	287.083566	157.8
[M]+	266.10835142	164.2
[M]-	266.10944858	164.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.