CID 6435353

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

Structural Information

Molecular Formula
C16H16N4O2S
SMILES
CCC1=NN=C(S1)N2C(=N/C(=C\C3=CC=C(C=C3)OC)/C2=O)C
InChI
InChI=1S/C16H16N4O2S/c1-4-14-18-19-16(23-14)20-10(2)17-13(15(20)21)9-11-5-7-12(22-3)8-6-11/h5-9H,4H2,1-3H3/b13-9-
InChIKey
NGUOOIUCBNRYAW-LCYFTJDESA-N
Compound name
(5Z)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(4-methoxyphenyl)methylidene]-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0994 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.106676 177.0
[M+Na]+ 351.088618 188.7
[M-H]- 327.092124 183.5
[M+NH4]+ 346.133223 190.6
[M+K]+ 367.062558 183.2
[M+H-H2O]+ 311.096660 168.4
[M+HCOO]- 373.097601 193.1
[M+CH3COO]- 387.113251 188.5
[M+Na-2H]- 349.074066 172.9
[M]+ 328.09885142 182.3
[M]- 328.09994858 182.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.