CID 211539

23338-58-1

Structural Information

Molecular Formula
C22H22ClN3O2
SMILES
C1COCCN1CCN2C(=O)C(=CC(=N2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H22ClN3O2/c23-19-8-4-7-18(15-19)20-16-21(17-5-2-1-3-6-17)24-26(22(20)27)10-9-25-11-13-28-14-12-25/h1-8,15-16H,9-14H2
InChIKey
YKNCRNHKWFDFFP-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)-2-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.14005 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.14733 196.0
[M+Na]+ 418.12927 214.5
[M+NH4]+ 413.17387 203.6
[M+K]+ 434.10321 204.3
[M-H]- 394.13277 204.7
[M+Na-2H]- 416.11472 206.9
[M]+ 395.13950 201.6
[M]- 395.14060 201.6
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.