CID 6447513

2-methyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)-5-benzylidene-3,5-dihydroimidazol-4-one

Structural Information

Molecular Formula
C16H16N4OS
SMILES
CCCC1=NN=C(S1)N2C(=N/C(=C\C3=CC=CC=C3)/C2=O)C
InChI
InChI=1S/C16H16N4OS/c1-3-7-14-18-19-16(22-14)20-11(2)17-13(15(20)21)10-12-8-5-4-6-9-12/h4-6,8-10H,3,7H2,1-2H3/b13-10-
InChIKey
MBYHONGTOONNLG-RAXLEYEMSA-N
Compound name
(5Z)-5-benzylidene-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

312.1045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11178 174.3
[M+Na]+ 335.09372 187.6
[M+NH4]+ 330.13832 181.0
[M+K]+ 351.06766 181.9
[M-H]- 311.09722 177.3
[M+Na-2H]- 333.07917 180.7
[M]+ 312.10395 177.4
[M]- 312.10505 177.4
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.