CID 5415576

79851-71-1

Structural Information

Molecular Formula

C₁₁H₉ClN₂OS

SMILES

CN1C(=O)/C(=C/C2=CC=C(C=C2)Cl)/NC1=S

InChI

InChI=1S/C11H9ClN2OS/c1-14-10(15)9(13-11(14)16)6-7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,16)/b9-6-

InChIKey

CAXNMSWREBCNQK-TWGQIWQCSA-N

Compound name

(5Z)-5-[(4-chlorophenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.0124 Da
Monoisotopic Mass: 2.5
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]+	253.019676	154.5
[M+Na]+	275.001618	165.6
[M-H]-	251.005124	158.1
[M+NH4]+	270.046223	172.2
[M+K]+	290.975558	158.3
[M+H-H2O]+	235.009660	148.7
[M+HCOO]-	297.010601	164.7
[M+CH3COO]-	311.026251	187.4
[M+Na-2H]-	272.987066	152.5
[M]+	252.01185142	154.6
[M]-	252.01294858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.