CID 135599795

2h-pyran-2,3,4-trione, 6-methyl-, 3-((4-chlorophenyl)hydrazone)

Structural Information

Molecular Formula
C12H11ClN2O3
SMILES
C[C@H]1CC(=C(C(=O)O1)N=NC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C12H11ClN2O3/c1-7-6-10(16)11(12(17)18-7)15-14-9-4-2-8(13)3-5-9/h2-5,7,16H,6H2,1H3/t7-/m0/s1
InChIKey
JAXVBAMCRZEOLE-ZETCQYMHSA-N
Compound name
(2S)-5-[(4-chlorophenyl)diazenyl]-4-hydroxy-2-methyl-2,3-dihydropyran-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

266.0458 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.053076 157.5
[M+Na]+ 289.035018 166.7
[M-H]- 265.038524 166.8
[M+NH4]+ 284.079623 174.1
[M+K]+ 305.008958 164.2
[M+H-H2O]+ 249.043060 150.7
[M+HCOO]- 311.044001 178.7
[M+CH3COO]- 325.059651 201.6
[M+Na-2H]- 287.020466 163.2
[M]+ 266.04525142 160.7
[M]- 266.04634858 160.7
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.