CID 44144578

55902-03-9

Structural Information

Molecular Formula
C21H21N3O2
SMILES
CC(CC1=CC=CC=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C21H21N3O2/c1-16(14-17-8-4-2-5-9-17)22-20(25)15-24-21(26)13-12-19(23-24)18-10-6-3-7-11-18/h2-13,16H,14-15H2,1H3,(H,22,25)
InChIKey
KWYBUACEQLRSSC-UHFFFAOYSA-N
Compound name
2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylpropan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1634 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17068 183.7
[M+Na]+ 370.15262 189.2
[M-H]- 346.15612 190.3
[M+NH4]+ 365.19722 192.8
[M+K]+ 386.12656 183.5
[M+H-H2O]+ 330.16066 172.2
[M+HCOO]- 392.16160 203.9
[M+CH3COO]- 406.17725 215.1
[M+Na-2H]- 368.13807 187.4
[M]+ 347.16285 183.5
[M]- 347.16395 183.5
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.