CID 833498

101444-70-6

Structural Information

Molecular Formula

C₁₇H₁₄N₂O₂S

SMILES

COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)N2)C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O2S/c1-21-14-9-7-12(8-10-14)11-15-16(20)19(17(22)18-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,22)/b15-11+

InChIKey

NSVSDYCWRPBVAF-RVDMUPIBSA-N

Compound name

(5E)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 310.0776 Da
Monoisotopic Mass: 3.4
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]+	311.084876	172.2
[M+Na]+	333.066818	181.4
[M-H]-	309.070324	178.6
[M+NH4]+	328.111423	186.0
[M+K]+	349.040758	174.1
[M+H-H2O]+	293.074860	164.0
[M+HCOO]-	355.075801	186.9
[M+CH3COO]-	369.091451	182.9
[M+Na-2H]-	331.052266	170.2
[M]+	310.07705142	171.6
[M]-	310.07814858	171.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.