CID 6435356

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

Structural Information

Molecular Formula
C17H18N4O2S
SMILES
CCCC1=NN=C(S1)N2C(=N/C(=C\C3=CC=C(C=C3)OC)/C2=O)C
InChI
InChI=1S/C17H18N4O2S/c1-4-5-15-19-20-17(24-15)21-11(2)18-14(16(21)22)10-12-6-8-13(23-3)9-7-12/h6-10H,4-5H2,1-3H3/b14-10-
InChIKey
DBYJABNJNDKEOF-UVTDQMKNSA-N
Compound name
(5Z)-5-[(4-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

342.11505 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12233 181.2
[M+Na]+ 365.10427 192.4
[M-H]- 341.10777 187.5
[M+NH4]+ 360.14887 194.2
[M+K]+ 381.07821 186.7
[M+H-H2O]+ 325.11231 172.4
[M+HCOO]- 387.11325 197.0
[M+CH3COO]- 401.12890 192.2
[M+Na-2H]- 363.08972 176.6
[M]+ 342.11450 186.8
[M]- 342.11560 186.8
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.