CID 5053474

55902-29-9

Structural Information

Molecular Formula
C20H19N3O2
SMILES
CC(C1=CC=CC=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C20H19N3O2/c1-15(16-8-4-2-5-9-16)21-19(24)14-23-20(25)13-12-18(22-23)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,21,24)
InChIKey
JOSRXIMQTVPDKL-UHFFFAOYSA-N
Compound name
2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

333.14774 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 179.3
[M+Na]+ 356.13696 185.2
[M-H]- 332.14046 186.0
[M+NH4]+ 351.18156 189.0
[M+K]+ 372.11090 179.7
[M+H-H2O]+ 316.14500 168.0
[M+HCOO]- 378.14594 199.9
[M+CH3COO]- 392.16159 212.2
[M+Na-2H]- 354.12241 183.5
[M]+ 333.14719 178.8
[M]- 333.14829 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.