CID 44144586

55902-12-0

Structural Information

Molecular Formula
C21H21N3O2
SMILES
CC(C1=CC=CC=C1)N(C)C(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C21H21N3O2/c1-16(17-9-5-3-6-10-17)23(2)21(26)15-24-20(25)14-13-19(22-24)18-11-7-4-8-12-18/h3-14,16H,15H2,1-2H3
InChIKey
ZHEGMLXHLDWQCR-UHFFFAOYSA-N
Compound name
N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1634 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17068 182.3
[M+Na]+ 370.15262 197.3
[M+NH4]+ 365.19722 189.0
[M+K]+ 386.12656 189.9
[M-H]- 346.15612 188.1
[M+Na-2H]- 368.13807 193.2
[M]+ 347.16285 186.1
[M]- 347.16395 186.1
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.