CID 44144585

55902-10-8

Structural Information

Molecular Formula
C22H22ClN3O2
SMILES
CC(CC1=CC=CC=C1)N(C)C(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H22ClN3O2/c1-16(14-17-6-4-3-5-7-17)25(2)22(28)15-26-21(27)13-12-20(24-26)18-8-10-19(23)11-9-18/h3-13,16H,14-15H2,1-2H3
InChIKey
LTARYTUUZIHVHG-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-methyl-N-(1-phenylpropan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.14005 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.14733 193.4
[M+Na]+ 418.12927 209.4
[M+NH4]+ 413.17387 200.2
[M+K]+ 434.10321 200.9
[M-H]- 394.13277 199.3
[M+Na-2H]- 416.11472 203.7
[M]+ 395.13950 197.7
[M]- 395.14060 197.7
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.