CID 3088339

3(2h)-pyridazinone, 5-(((3-butoxy-4-methoxyphenyl)methyl)amino)-4-chloro-6-(1-methylethoxy)-

Structural Information

Molecular Formula
C19H26ClN3O4
SMILES
CCCCOC1=C(C=CC(=C1)CNC2=C(C(=O)NN=C2OC(C)C)Cl)OC
InChI
InChI=1S/C19H26ClN3O4/c1-5-6-9-26-15-10-13(7-8-14(15)25-4)11-21-17-16(20)18(24)22-23-19(17)27-12(2)3/h7-8,10,12H,5-6,9,11H2,1-4H3,(H2,21,22,24)
InChIKey
YUHCOCDUVCJMRL-UHFFFAOYSA-N
Compound name
4-[(3-butoxy-4-methoxyphenyl)methylamino]-5-chloro-3-propan-2-yloxy-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

395.1612 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.16848 192.5
[M+Na]+ 418.15042 200.2
[M-H]- 394.15392 195.3
[M+NH4]+ 413.19502 201.4
[M+K]+ 434.12436 194.9
[M+H-H2O]+ 378.15846 183.1
[M+HCOO]- 440.15940 207.3
[M+CH3COO]- 454.17505 222.8
[M+Na-2H]- 416.13587 192.9
[M]+ 395.16065 200.2
[M]- 395.16175 200.2
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