CID 3065184

3(2h)-pyridazinone, 4-chloro-5-(((4-methoxy-3-propoxyphenyl)methyl)amino)-2-methyl-

Structural Information

Molecular Formula
C16H20ClN3O3
SMILES
CCCOC1=C(C=CC(=C1)CNC2=C(C(=O)N(N=C2)C)Cl)OC
InChI
InChI=1S/C16H20ClN3O3/c1-4-7-23-14-8-11(5-6-13(14)22-3)9-18-12-10-19-20(2)16(21)15(12)17/h5-6,8,10,18H,4,7,9H2,1-3H3
InChIKey
IYNHMDJOOBQMNP-UHFFFAOYSA-N
Compound name
4-chloro-5-[(4-methoxy-3-propoxyphenyl)methylamino]-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.11932 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.12660 177.0
[M+Na]+ 360.10854 187.1
[M-H]- 336.11204 181.5
[M+NH4]+ 355.15314 189.2
[M+K]+ 376.08248 181.8
[M+H-H2O]+ 320.11658 167.9
[M+HCOO]- 382.11752 195.1
[M+CH3COO]- 396.13317 213.3
[M+Na-2H]- 358.09399 180.3
[M]+ 337.11877 184.6
[M]- 337.11987 184.6
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.