Metabolite α-ketoglutarate hydrazone

Name

α-ketoglutarate hydrazone

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 288.263
Monoisotopic: 288.085854882

Chemical Formula

C₁₃H₁₂N₄O₄

InChI Key

RUUNMIPDMUUCPO-GDNBJRDFSA-N

InChI

InChI=1S/C13H12N4O4/c18-11(19)6-5-10(13(20)21)15-17-12-9-4-2-1-3-8(9)7-14-16-12/h1-4,7H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/b15-10-

IUPAC Name

(2Z)-2-[2-(phthalazin-1-yl)hydrazin-1-ylidene]pentanedioic acid

SMILES

OC(=O)CC\C(=N\NC1=NN=CC2=CC=CC=C12)C(O)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fk9-0290000000-5c14761376807ba2eb1b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-1920000000-6fbc00b545757abac2a0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0v4m-4490000000-9386e5c4982a0a6d6b96
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-052f-0900000000-84a9060585f2ed2cce71
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-3900000000-087e168d10cb044d7e57
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-056r-1900000000-4c7f4c850269df3d81a4

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	163.90805	predicted	DeepCCS 1.0 (2019)
[M+H]+	166.26605	predicted	DeepCCS 1.0 (2019)
[M+Na]+	172.3592	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties