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]+ 267.05308 157.5
[M+Na]+ 289.03502 166.7
[M-H]- 265.03852 166.8
[M+NH4]+ 284.07962 174.1
[M+K]+ 305.00896 164.2
[M+H-H2O]+ 249.04306 150.7
[M+HCOO]- 311.04400 178.7
[M+CH3COO]- 325.05965 201.6
[M+Na-2H]- 287.02047 163.2
[M]+ 266.04525 160.7
[M]- 266.04635 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.