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]+ 329.10668 177.0
[M+Na]+ 351.08862 188.7
[M-H]- 327.09212 183.5
[M+NH4]+ 346.13322 190.6
[M+K]+ 367.06256 183.2
[M+H-H2O]+ 311.09666 168.4
[M+HCOO]- 373.09760 193.1
[M+CH3COO]- 387.11325 188.5
[M+Na-2H]- 349.07407 172.9
[M]+ 328.09885 182.3
[M]- 328.09995 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.