CID 6435350

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

Structural Information

Molecular Formula
C14H12N4O2S
SMILES
CC1=N/C(=C\C2=CC=CC=C2O)/C(=O)N1C3=NN=C(S3)C
InChI
InChI=1S/C14H12N4O2S/c1-8-15-11(7-10-5-3-4-6-12(10)19)13(20)18(8)14-17-16-9(2)21-14/h3-7,19H,1-2H3/b11-7-
InChIKey
IFSRQBCWHIUOQA-XFFZJAGNSA-N
Compound name
(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.06808 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.075356 168.8
[M+Na]+ 323.057298 181.1
[M-H]- 299.060804 174.4
[M+NH4]+ 318.101903 182.9
[M+K]+ 339.031238 175.1
[M+H-H2O]+ 283.065340 161.0
[M+HCOO]- 345.066281 184.2
[M+CH3COO]- 359.081931 180.6
[M+Na-2H]- 321.042746 165.4
[M]+ 300.06753142 171.8
[M]- 300.06862858 171.8
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.