CID 6435349

4h-imidazol-4-one, 3,5-dihydro-5-((4-methoxyphenyl)methylene)-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-

Structural Information

Molecular Formula

C₁₅H₁₄N₄O₂S

SMILES

CC1=N/C(=C\C2=CC=C(C=C2)OC)/C(=O)N1C3=NN=C(S3)C

InChI

InChI=1S/C15H14N4O2S/c1-9-16-13(8-11-4-6-12(21-3)7-5-11)14(20)19(9)15-18-17-10(2)22-15/h4-8H,1-3H3/b13-8-

InChIKey

CXDKHQDXYNEPGY-JYRVWZFOSA-N

Compound name

(5Z)-5-[(4-methoxyphenyl)methylidene]-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 314.08374 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]+	315.091016	172.8
[M+Na]+	337.072958	185.0
[M-H]-	313.076464	179.5
[M+NH4]+	332.117563	187.0
[M+K]+	353.046898	179.7
[M+H-H2O]+	297.081000	164.4
[M+HCOO]-	359.081941	189.2
[M+CH3COO]-	373.097591	184.7
[M+Na-2H]-	335.058406	169.1
[M]+	314.08319142	177.8
[M]-	314.08428858	177.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.