CID 6435357

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

Structural Information

Molecular Formula
C16H16N4O2S
SMILES
CCCC1=NN=C(S1)N2C(=N/C(=C\C3=CC=CC=C3O)/C2=O)C
InChI
InChI=1S/C16H16N4O2S/c1-3-6-14-18-19-16(23-14)20-10(2)17-12(15(20)22)9-11-7-4-5-8-13(11)21/h4-5,7-9,21H,3,6H2,1-2H3/b12-9-
InChIKey
TYQHTJJTVBOWJK-XFXZXTDPSA-N
Compound name
(5Z)-5-[(2-hydroxyphenyl)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

328.0994 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10668 178.7
[M+Na]+ 351.08862 191.3
[M+NH4]+ 346.13322 184.5
[M+K]+ 367.06256 186.6
[M-H]- 327.09212 180.8
[M+Na-2H]- 349.07407 183.7
[M]+ 328.09885 181.3
[M]- 328.09995 181.3
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.