CID 6435354

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

Structural Information

Molecular Formula
C16H16N4O3S
SMILES
CCC1=NN=C(S1)N2C(=N/C(=C\C3=CC(=C(C=C3)O)OC)/C2=O)C
InChI
InChI=1S/C16H16N4O3S/c1-4-14-18-19-16(24-14)20-9(2)17-11(15(20)22)7-10-5-6-12(21)13(8-10)23-3/h5-8,21H,4H2,1-3H3/b11-7-
InChIKey
MJAVFVJITWAYOM-XFFZJAGNSA-N
Compound name
(5Z)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.0943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10158 180.3
[M+Na]+ 367.08352 192.1
[M-H]- 343.08702 185.9
[M+NH4]+ 362.12812 192.7
[M+K]+ 383.05746 186.3
[M+H-H2O]+ 327.09156 172.4
[M+HCOO]- 389.09250 195.1
[M+CH3COO]- 403.10815 207.4
[M+Na-2H]- 365.06897 175.5
[M]+ 344.09375 185.7
[M]- 344.09485 185.7
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.