CID 3065183

3(2h)-pyridazinone, 4-chloro-2-cyclopentyl-5-(((3-methoxyphenyl)methyl)amino)-

Structural Information

Molecular Formula
C17H20ClN3O2
SMILES
COC1=CC=CC(=C1)CNC2=C(C(=O)N(N=C2)C3CCCC3)Cl
InChI
InChI=1S/C17H20ClN3O2/c1-23-14-8-4-5-12(9-14)10-19-15-11-20-21(17(22)16(15)18)13-6-2-3-7-13/h4-5,8-9,11,13,19H,2-3,6-7,10H2,1H3
InChIKey
HCPZYUVXKWFUHD-UHFFFAOYSA-N
Compound name
4-chloro-2-cyclopentyl-5-[(3-methoxyphenyl)methylamino]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

333.1244 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.13168 177.3
[M+Na]+ 356.11362 185.3
[M-H]- 332.11712 184.3
[M+NH4]+ 351.15822 190.6
[M+K]+ 372.08756 179.1
[M+H-H2O]+ 316.12166 167.5
[M+HCOO]- 378.12260 194.1
[M+CH3COO]- 392.13825 187.9
[M+Na-2H]- 354.09907 178.4
[M]+ 333.12385 178.9
[M]- 333.12495 178.9
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