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

6
Patents

333.1244 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.131676 177.3
[M+Na]+ 356.113618 185.3
[M-H]- 332.117124 184.3
[M+NH4]+ 351.158223 190.6
[M+K]+ 372.087558 179.1
[M+H-H2O]+ 316.121660 167.5
[M+HCOO]- 378.122601 194.1
[M+CH3COO]- 392.138251 187.9
[M+Na-2H]- 354.099066 178.4
[M]+ 333.12385142 178.9
[M]- 333.12494858 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