CID 381565

Nsc668354

Structural Information

Molecular Formula
C34H28N4O3
SMILES
CC1=CC=C(C=C1)C2=NNC(=O)C(=C2CC3=CC=C(C=C3)OC)C4C(=NN(C4=O)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C34H28N4O3/c1-22-13-17-25(18-14-22)31-28(21-23-15-19-27(41-2)20-16-23)29(33(39)36-35-31)30-32(24-9-5-3-6-10-24)37-38(34(30)40)26-11-7-4-8-12-26/h3-20,30H,21H2,1-2H3,(H,36,39)
InChIKey
DGPNAGOQMBQMMR-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-5-(5-oxo-1,3-diphenyl-4H-pyrazol-4-yl)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.2161 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.22338 237.0
[M+Na]+ 563.20532 244.2
[M-H]- 539.20882 249.3
[M+NH4]+ 558.24992 235.9
[M+K]+ 579.17926 233.7
[M+H-H2O]+ 523.21336 220.7
[M+HCOO]- 585.21430 251.1
[M+CH3COO]- 599.22995 242.2
[M+Na-2H]- 561.19077 232.9
[M]+ 540.21555 236.2
[M]- 540.21665 236.2
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.