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]+ 348.170676 183.7
[M+Na]+ 370.152618 189.2
[M-H]- 346.156124 190.3
[M+NH4]+ 365.197223 192.8
[M+K]+ 386.126558 183.5
[M+H-H2O]+ 330.160660 172.2
[M+HCOO]- 392.161601 203.9
[M+CH3COO]- 406.177251 215.1
[M+Na-2H]- 368.138066 187.4
[M]+ 347.16285142 183.5
[M]- 347.16394858 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.