CID 135450277

5-phenyl-2-(5-(p-methoxyphenyl)-1,3,4-oxadiazol-2-ylimino)-4-thiazolidinone

Structural Information

Molecular Formula

C₁₈H₁₄N₄O₃S

SMILES

COC1=CC=C(C=C1)C2=NN=C(O2)/N=C/3\NC(=O)C(S3)C4=CC=CC=C4

InChI

InChI=1S/C18H14N4O3S/c1-24-13-9-7-12(8-10-13)16-21-22-17(25-16)20-18-19-15(23)14(26-18)11-5-3-2-4-6-11/h2-10,14H,1H3,(H,19,20,22,23)

InChIKey

DCHXXIJNUIESNV-UHFFFAOYSA-N

Compound name

(2E)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]imino]-5-phenyl-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 366.07867 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]+	367.085946	183.1
[M+Na]+	389.067888	192.5
[M-H]-	365.071394	194.2
[M+NH4]+	384.112493	193.9
[M+K]+	405.041828	187.9
[M+H-H2O]+	349.075930	174.2
[M+HCOO]-	411.076871	200.4
[M+CH3COO]-	425.092521	194.0
[M+Na-2H]-	387.053336	181.8
[M]+	366.07812142	185.7
[M]-	366.07921858	185.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.