CID 6447514

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

Structural Information

Molecular Formula
C17H18N4O3S
SMILES
CCCC1=NN=C(S1)N2C(=N/C(=C\C3=CC(=C(C=C3)O)OC)/C2=O)C
InChI
InChI=1S/C17H18N4O3S/c1-4-5-15-19-20-17(25-15)21-10(2)18-12(16(21)23)8-11-6-7-13(22)14(9-11)24-3/h6-9,22H,4-5H2,1-3H3/b12-8-
InChIKey
JZWANAHVEZPJOF-WQLSENKSSA-N
Compound name
(5Z)-5-[(4-hydroxy-3-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

358.10995 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.117226 184.5
[M+Na]+ 381.099168 195.7
[M-H]- 357.102674 189.9
[M+NH4]+ 376.143773 196.3
[M+K]+ 397.073108 189.8
[M+H-H2O]+ 341.107210 176.3
[M+HCOO]- 403.108151 198.9
[M+CH3COO]- 417.123801 210.3
[M+Na-2H]- 379.084616 179.2
[M]+ 358.10940142 190.1
[M]- 358.11049858 190.1
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.