CID 2871997

5624-13-5

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃S

SMILES

C1=CC=C(C=C1)N2C(=O)C(NC2=S)CC(=O)O

InChI

InChI=1S/C11H10N2O3S/c14-9(15)6-8-10(16)13(11(17)12-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,17)(H,14,15)

InChIKey

NFUCNAREVSTFNC-UHFFFAOYSA-N

Compound name

2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 17
Patents: 250.04121 Da
Monoisotopic Mass: 0.8
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]+	251.04849	156.0
[M+Na]+	273.03043	166.0
[M+NH4]+	268.07503	161.9
[M+K]+	289.00437	161.4
[M-H]-	249.03393	156.0
[M+Na-2H]-	271.01588	159.0
[M]+	250.04066	157.4
[M]-	250.04176	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe