CID 54684577

Bas 00693363

Structural Information

Molecular Formula
C17H19N3O6
SMILES
CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NNC(=O)CC(=O)OCC)O
InChI
InChI=1S/C17H19N3O6/c1-3-20-11-8-6-5-7-10(11)15(23)14(17(20)25)16(24)19-18-12(21)9-13(22)26-4-2/h5-8,23H,3-4,9H2,1-2H3,(H,18,21)(H,19,24)
InChIKey
SWCNTNFAXYDEAP-UHFFFAOYSA-N
Compound name
ethyl 3-[2-(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)hydrazinyl]-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.12738 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.13466 180.6
[M+Na]+ 384.11660 186.9
[M-H]- 360.12010 182.7
[M+NH4]+ 379.16120 191.6
[M+K]+ 400.09054 184.9
[M+H-H2O]+ 344.12464 172.3
[M+HCOO]- 406.12558 200.3
[M+CH3COO]- 420.14123 218.3
[M+Na-2H]- 382.10205 182.4
[M]+ 361.12683 184.4
[M]- 361.12793 184.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.