CID 6435351

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

Structural Information

Molecular Formula
C15H14N4O3S
SMILES
CC1=N/C(=C\C2=CC(=C(C=C2)O)OC)/C(=O)N1C3=NN=C(S3)C
InChI
InChI=1S/C15H14N4O3S/c1-8-16-11(6-10-4-5-12(20)13(7-10)22-3)14(21)19(8)15-18-17-9(2)23-15/h4-7,20H,1-3H3/b11-6-
InChIKey
RHQZAAFNJLYKIB-WDZFZDKYSA-N
Compound name
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.07867 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08595 178.6
[M+Na]+ 353.06789 191.2
[M+NH4]+ 348.11249 184.0
[M+K]+ 369.04183 187.5
[M-H]- 329.07139 180.4
[M+Na-2H]- 351.05334 183.2
[M]+ 330.07812 181.1
[M]- 330.07922 181.1
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.