CID 3066655

6-(4-acetylaminophenyl)-5-propioxymethyl-4,5-dihydro-3(2h)-pyridazinone

Structural Information

Molecular Formula
C16H19N3O4
SMILES
CCC(=O)OCC1CC(=O)NN=C1C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C16H19N3O4/c1-3-15(22)23-9-12-8-14(21)18-19-16(12)11-4-6-13(7-5-11)17-10(2)20/h4-7,12H,3,8-9H2,1-2H3,(H,17,20)(H,18,21)
InChIKey
GSHMGVMCMNYNIH-UHFFFAOYSA-N
Compound name
[3-(4-acetamidophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-4-yl]methyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.13754 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14482 173.9
[M+Na]+ 340.12676 179.1
[M-H]- 316.13026 176.2
[M+NH4]+ 335.17136 184.3
[M+K]+ 356.10070 175.5
[M+H-H2O]+ 300.13480 164.6
[M+HCOO]- 362.13574 191.0
[M+CH3COO]- 376.15139 206.7
[M+Na-2H]- 338.11221 174.7
[M]+ 317.13699 172.7
[M]- 317.13809 172.7
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.