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]+ 338.126596 177.0
[M+Na]+ 360.108538 187.1
[M-H]- 336.112044 181.5
[M+NH4]+ 355.153143 189.2
[M+K]+ 376.082478 181.8
[M+H-H2O]+ 320.116580 167.9
[M+HCOO]- 382.117521 195.1
[M+CH3COO]- 396.133171 213.3
[M+Na-2H]- 358.093986 180.3
[M]+ 337.11877142 184.6
[M]- 337.11986858 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.