CID 6435357

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

Structural Information

Molecular Formula
C16H16N4O2S
SMILES
CCCC1=NN=C(S1)N2C(=N/C(=C\C3=CC=CC=C3O)/C2=O)C
InChI
InChI=1S/C16H16N4O2S/c1-3-6-14-18-19-16(23-14)20-10(2)17-12(15(20)22)9-11-7-4-5-8-13(11)21/h4-5,7-9,21H,3,6H2,1-2H3/b12-9-
InChIKey
TYQHTJJTVBOWJK-XFXZXTDPSA-N
Compound name
(5Z)-5-[(2-hydroxyphenyl)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

328.0994 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.106676 177.2
[M+Na]+ 351.088618 188.4
[M-H]- 327.092124 182.4
[M+NH4]+ 346.133223 190.1
[M+K]+ 367.062558 182.1
[M+H-H2O]+ 311.096660 169.0
[M+HCOO]- 373.097601 191.8
[M+CH3COO]- 387.113251 188.0
[M+Na-2H]- 349.074066 172.8
[M]+ 328.09885142 180.8
[M]- 328.09994858 180.8
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.