CID 6449136

129228-60-0

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂S

SMILES

COC1=CC=C(C=C1)/C=C/2\C(=O)N3CCSC3=N2

InChI

InChI=1S/C13H12N2O2S/c1-17-10-4-2-9(3-5-10)8-11-12(16)15-6-7-18-13(15)14-11/h2-5,8H,6-7H2,1H3/b11-8+

InChIKey

XPQNOBPUGLXDHX-DHZHZOJOSA-N

Compound name

(6E)-6-[(4-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 260.06195 Da
Monoisotopic Mass: 2.2
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]+	261.069226	158.6
[M+Na]+	283.051168	169.0
[M-H]-	259.054674	164.6
[M+NH4]+	278.095773	178.5
[M+K]+	299.025108	165.0
[M+H-H2O]+	243.059210	152.3
[M+HCOO]-	305.060151	175.5
[M+CH3COO]-	319.075801	171.4
[M+Na-2H]-	281.036616	157.7
[M]+	260.06140142	161.4
[M]-	260.06249858	161.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.