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]+ 359.11723 187.0
[M+Na]+ 381.09917 199.2
[M+NH4]+ 376.14377 192.1
[M+K]+ 397.07311 195.1
[M-H]- 357.10267 188.7
[M+Na-2H]- 379.08462 191.1
[M]+ 358.10940 189.5
[M]- 358.11050 189.5
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.