CID 6435355

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

Structural Information

Molecular Formula
C16H15ClN4OS
SMILES
CCCC1=NN=C(S1)N2C(=N/C(=C\C3=CC=C(C=C3)Cl)/C2=O)C
InChI
InChI=1S/C16H15ClN4OS/c1-3-4-14-19-20-16(23-14)21-10(2)18-13(15(21)22)9-11-5-7-12(17)8-6-11/h5-9H,3-4H2,1-2H3/b13-9-
InChIKey
NMYCNBOFBNHOGC-LCYFTJDESA-N
Compound name
(5Z)-5-[(4-chlorophenyl)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

346.06552 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.07280 181.4
[M+Na]+ 369.05474 193.8
[M-H]- 345.05824 187.6
[M+NH4]+ 364.09934 195.1
[M+K]+ 385.02868 186.5
[M+H-H2O]+ 329.06278 172.7
[M+HCOO]- 391.06372 192.5
[M+CH3COO]- 405.07937 192.5
[M+Na-2H]- 367.04019 176.4
[M]+ 346.06497 187.0
[M]- 346.06607 187.0
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.