CID 44144591

55902-24-4

Structural Information

Molecular Formula
C28H27N3O3
SMILES
CC(CC1=CC=CC=C1)N(C)C(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C28H27N3O3/c1-21(19-22-9-5-3-6-10-22)30(2)28(33)20-31-27(32)18-17-26(29-31)23-13-15-25(16-14-23)34-24-11-7-4-8-12-24/h3-18,21H,19-20H2,1-2H3
InChIKey
BCABAYVTWNPFSI-UHFFFAOYSA-N
Compound name
N-methyl-2-[6-oxo-3-(4-phenoxyphenyl)pyridazin-1-yl]-N-(1-phenylpropan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.20523 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.21251 212.2
[M+Na]+ 476.19445 216.2
[M-H]- 452.19795 222.5
[M+NH4]+ 471.23905 216.7
[M+K]+ 492.16839 210.9
[M+H-H2O]+ 436.20249 198.1
[M+HCOO]- 498.20343 231.4
[M+CH3COO]- 512.21908 238.1
[M+Na-2H]- 474.17990 213.3
[M]+ 453.20468 214.2
[M]- 453.20578 214.2
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.