CID 98711

Rhodanine, 3-(p-ethoxyphenyl)-

Structural Information

Molecular Formula

C₁₁H₁₁NO₂S₂

SMILES

CCOC1=CC=C(C=C1)N2C(=O)CSC2=S

InChI

InChI=1S/C11H11NO2S2/c1-2-14-9-5-3-8(4-6-9)12-10(13)7-16-11(12)15/h3-6H,2,7H2,1H3

InChIKey

FDDUMUCIBCSUHO-UHFFFAOYSA-N

Compound name

3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 253.02312 Da
Monoisotopic Mass: 2.7
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]+	254.03040	153.2
[M+Na]+	276.01234	162.9
[M-H]-	252.01584	159.0
[M+NH4]+	271.05694	171.9
[M+K]+	291.98628	158.0
[M+H-H2O]+	236.02038	147.3
[M+HCOO]-	298.02132	165.5
[M+CH3COO]-	312.03697	190.5
[M+Na-2H]-	273.99779	151.2
[M]+	253.02257	155.8
[M]-	253.02367	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe