CID 211550

23348-30-3

Structural Information

Molecular Formula
C22H22ClN3O
SMILES
C1CCN(C1)CCN2C(=O)C(=CC(=N2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C22H22ClN3O/c23-19-10-6-9-18(15-19)21-16-20(17-7-2-1-3-8-17)22(27)26(24-21)14-13-25-11-4-5-12-25/h1-3,6-10,15-16H,4-5,11-14H2
InChIKey
VWGZPUJOGKORCR-UHFFFAOYSA-N
Compound name
6-(3-chlorophenyl)-4-phenyl-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.14514 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.15242 192.3
[M+Na]+ 402.13436 200.3
[M-H]- 378.13786 200.4
[M+NH4]+ 397.17896 201.9
[M+K]+ 418.10830 191.6
[M+H-H2O]+ 362.14240 179.8
[M+HCOO]- 424.14334 205.7
[M+CH3COO]- 438.15899 201.2
[M+Na-2H]- 400.11981 191.9
[M]+ 379.14459 192.4
[M]- 379.14569 192.4
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.