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]+ 301.07536 168.8
[M+Na]+ 323.05730 181.1
[M-H]- 299.06080 174.4
[M+NH4]+ 318.10190 182.9
[M+K]+ 339.03124 175.1
[M+H-H2O]+ 283.06534 161.0
[M+HCOO]- 345.06628 184.2
[M+CH3COO]- 359.08193 180.6
[M+Na-2H]- 321.04275 165.4
[M]+ 300.06753 171.8
[M]- 300.06863 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.