CID 54706300

300806-03-5

Structural Information

Molecular Formula
C15H15N3O6
SMILES
COC(=O)CCC(=O)NNC(=O)C1=C(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C15H15N3O6/c1-24-11(20)7-6-10(19)17-18-15(23)12-13(21)8-4-2-3-5-9(8)16-14(12)22/h2-5H,6-7H2,1H3,(H,17,19)(H,18,23)(H2,16,21,22)
InChIKey
VNORYTBYGQSJAK-UHFFFAOYSA-N
Compound name
methyl 4-[2-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)hydrazinyl]-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.0961 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10338 173.0
[M+Na]+ 356.08532 181.1
[M+NH4]+ 351.12992 175.9
[M+K]+ 372.05926 178.8
[M-H]- 332.08882 171.4
[M+Na-2H]- 354.07077 174.6
[M]+ 333.09555 172.9
[M]- 333.09665 172.9
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.