CID 3088338

3(2h)-pyridazinone, 5-(((3-butoxy-4-methoxyphenyl)methyl)amino)-4-chloro-6-ethoxy-

Structural Information

Molecular Formula
C18H24ClN3O4
SMILES
CCCCOC1=C(C=CC(=C1)CNC2=C(C(=O)NN=C2OCC)Cl)OC
InChI
InChI=1S/C18H24ClN3O4/c1-4-6-9-26-14-10-12(7-8-13(14)24-3)11-20-16-15(19)17(23)21-22-18(16)25-5-2/h7-8,10H,4-6,9,11H2,1-3H3,(H2,20,21,23)
InChIKey
GCRLEWGSFMYVOZ-UHFFFAOYSA-N
Compound name
4-[(3-butoxy-4-methoxyphenyl)methylamino]-5-chloro-3-ethoxy-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

381.14554 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15282 188.3
[M+Na]+ 404.13476 196.7
[M-H]- 380.13826 191.1
[M+NH4]+ 399.17936 197.8
[M+K]+ 420.10870 191.0
[M+H-H2O]+ 364.14280 178.8
[M+HCOO]- 426.14374 204.4
[M+CH3COO]- 440.15939 219.0
[M+Na-2H]- 402.12021 190.3
[M]+ 381.14499 196.1
[M]- 381.14609 196.1
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

patents stripe