CID 44144590

55902-17-5

Structural Information

Molecular Formula
C20H17Cl2N3O2
SMILES
CC(C1=CC=CC=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H17Cl2N3O2/c1-13(14-5-3-2-4-6-14)23-19(26)12-25-20(27)10-9-18(24-25)15-7-8-16(21)17(22)11-15/h2-11,13H,12H2,1H3,(H,23,26)
InChIKey
HEJLQWGTOYWOCV-UHFFFAOYSA-N
Compound name
2-[3-(3,4-dichlorophenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.0698 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.07708 192.1
[M+Na]+ 424.05902 209.2
[M+NH4]+ 419.10362 199.1
[M+K]+ 440.03296 200.0
[M-H]- 400.06252 197.6
[M+Na-2H]- 422.04447 202.1
[M]+ 401.06925 196.8
[M]- 401.07035 196.8
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.