CID 211530

23338-43-4

Structural Information

Molecular Formula
C22H21Cl2N3O2
SMILES
C1COCCN1CCN2C(=O)C(=CC(=N2)C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H21Cl2N3O2/c23-18-5-1-3-16(13-18)20-15-21(17-4-2-6-19(24)14-17)25-27(22(20)28)8-7-26-9-11-29-12-10-26/h1-6,13-15H,7-12H2
InChIKey
REEFTNKJIDIPJD-UHFFFAOYSA-N
Compound name
4,6-bis(3-chlorophenyl)-2-(2-morpholin-4-ylethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.10107 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.10835 202.4
[M+Na]+ 452.09029 210.5
[M-H]- 428.09379 209.7
[M+NH4]+ 447.13489 207.3
[M+K]+ 468.06423 203.0
[M+H-H2O]+ 412.09833 189.0
[M+HCOO]- 474.09927 207.4
[M+CH3COO]- 488.11492 209.8
[M+Na-2H]- 450.07574 202.8
[M]+ 429.10052 203.9
[M]- 429.10162 203.9
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

No patent data available for this compound.