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 184.5
[M+Na]+ 381.09917 195.7
[M-H]- 357.10267 189.9
[M+NH4]+ 376.14377 196.3
[M+K]+ 397.07311 189.8
[M+H-H2O]+ 341.10721 176.3
[M+HCOO]- 403.10815 198.9
[M+CH3COO]- 417.12380 210.3
[M+Na-2H]- 379.08462 179.2
[M]+ 358.10940 190.1
[M]- 358.11050 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.