CID 13382920

3-pyridazinecarboxylic acid, 6-morpholino-, 2-(2-carboxy-1-methylethylidene)hydrazide, ethyl ester

Structural Information

Molecular Formula
C15H21N5O4
SMILES
CCOC(=O)C/C(=N/NC(=O)C1=NN=C(C=C1)N2CCOCC2)/C
InChI
InChI=1S/C15H21N5O4/c1-3-24-14(21)10-11(2)16-19-15(22)12-4-5-13(18-17-12)20-6-8-23-9-7-20/h4-5H,3,6-10H2,1-2H3,(H,19,22)/b16-11+
InChIKey
JDJOEAODUYRTPS-LFIBNONCSA-N
Compound name
ethyl (3E)-3-[(6-morpholin-4-ylpyridazine-3-carbonyl)hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.15936 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.166636 179.2
[M+Na]+ 358.148578 181.8
[M-H]- 334.152084 182.6
[M+NH4]+ 353.193183 186.5
[M+K]+ 374.122518 181.5
[M+H-H2O]+ 318.156620 167.8
[M+HCOO]- 380.157561 196.0
[M+CH3COO]- 394.173211 214.8
[M+Na-2H]- 356.134026 182.1
[M]+ 335.15881142 178.8
[M]- 335.15990858 178.8
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.