CID 207186

Ag 259

Structural Information

Molecular Formula
C17H20ClN3O2
SMILES
CC1=CC(=NN(C1=O)CCN2CCOCC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H20ClN3O2/c1-13-12-16(14-2-4-15(18)5-3-14)19-21(17(13)22)7-6-20-8-10-23-11-9-20/h2-5,12H,6-11H2,1H3
InChIKey
AIAWWTCGCURYFZ-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1244 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.13168 179.5
[M+Na]+ 356.11362 187.6
[M-H]- 332.11712 185.0
[M+NH4]+ 351.15822 188.3
[M+K]+ 372.08756 182.1
[M+H-H2O]+ 316.12166 168.0
[M+HCOO]- 378.12260 190.4
[M+CH3COO]- 392.13825 188.9
[M+Na-2H]- 354.09907 182.0
[M]+ 333.12385 180.3
[M]- 333.12495 180.3
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.