CID 211554

23348-35-8

Structural Information

Molecular Formula
C22H22ClN3O2
SMILES
C1COCCN1CCN2C(=O)C(=CC(=N2)C3=CC=CC=C3Cl)C4=CC=CC=C4
InChI
InChI=1S/C22H22ClN3O2/c23-20-9-5-4-8-18(20)21-16-19(17-6-2-1-3-7-17)22(27)26(24-21)11-10-25-12-14-28-15-13-25/h1-9,16H,10-15H2
InChIKey
ISXURZYQRQSWCX-UHFFFAOYSA-N
Compound name
6-(2-chlorophenyl)-2-(2-morpholin-4-ylethyl)-4-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 196.8
[M+Na]+ 418.12927 203.8
[M-H]- 394.13277 204.7
[M+NH4]+ 413.17387 202.2
[M+K]+ 434.10321 196.8
[M+H-H2O]+ 378.13731 183.2
[M+HCOO]- 440.13825 207.0
[M+CH3COO]- 454.15390 204.7
[M+Na-2H]- 416.11472 198.8
[M]+ 395.13950 196.5
[M]- 395.14060 196.5
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.