CID 6435356

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

Structural Information

Molecular Formula

C₁₇H₁₈N₄O₂S

SMILES

CCCC1=NN=C(S1)N2C(=N/C(=C\C3=CC=C(C=C3)OC)/C2=O)C

InChI

InChI=1S/C17H18N4O2S/c1-4-5-15-19-20-17(24-15)21-11(2)18-14(16(21)22)10-12-6-8-13(23-3)9-7-12/h6-10H,4-5H2,1-3H3/b14-10-

InChIKey

DBYJABNJNDKEOF-UVTDQMKNSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 342.11505 Da
Monoisotopic Mass: 3.0
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]+	343.122326	181.2
[M+Na]+	365.104268	192.4
[M-H]-	341.107774	187.5
[M+NH4]+	360.148873	194.2
[M+K]+	381.078208	186.7
[M+H-H2O]+	325.112310	172.4
[M+HCOO]-	387.113251	197.0
[M+CH3COO]-	401.128901	192.2
[M+Na-2H]-	363.089716	176.6
[M]+	342.11450142	186.8
[M]-	342.11559858	186.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.