CID 106202

N-ethoxycarbonylrhodanine

Structural Information

Molecular Formula

C₆H₇NO₃S₂

SMILES

CCOC(=O)N1C(=O)CSC1=S

InChI

InChI=1S/C6H7NO3S2/c1-2-10-5(9)7-4(8)3-12-6(7)11/h2-3H2,1H3

InChIKey

HRXZNUFSACENKF-UHFFFAOYSA-N

Compound name

ethyl 4-oxo-2-sulfanylidene-1,3-thiazolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12
Patents: 204.98674 Da
Monoisotopic Mass: 1.4
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]+	205.99402	141.1
[M+Na]+	227.97596	150.1
[M-H]-	203.97946	143.6
[M+NH4]+	223.02056	161.4
[M+K]+	243.94990	147.4
[M+H-H2O]+	187.98400	136.1
[M+HCOO]-	249.98494	152.3
[M+CH3COO]-	264.00059	179.8
[M+Na-2H]-	225.96141	138.6
[M]+	204.98619	143.7
[M]-	204.98729	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe