CID 105260

Dtxsid90886794

Structural Information

Molecular Formula
C41H36N8O2
SMILES
CC1=C(C=CC(=C1)C(C2=CC=CC=C2)C3=CC(=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=CC=C5)C)C)N=NC6C(=NN(C6=O)C7=CC=CC=C7)C
InChI
InChI=1S/C41H36N8O2/c1-26-24-31(20-22-35(26)42-44-38-28(3)46-48(40(38)50)33-16-10-6-11-17-33)37(30-14-8-5-9-15-30)32-21-23-36(27(2)25-32)43-45-39-29(4)47-49(41(39)51)34-18-12-7-13-19-34/h5-25,37-39H,1-4H3
InChIKey
WXNBMYJCPCEWND-UHFFFAOYSA-N
Compound name
5-methyl-4-[[2-methyl-4-[[3-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]phenyl]-phenylmethyl]phenyl]diazenyl]-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

672.29614 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 673.30342 263.0
[M+Na]+ 695.28536 267.3
[M-H]- 671.28886 284.4
[M+NH4]+ 690.32996 260.2
[M+K]+ 711.25930 259.3
[M+H-H2O]+ 655.29340 245.2
[M+HCOO]- 717.29434 285.4
[M+CH3COO]- 731.30999 267.8
[M+Na-2H]- 693.27081 257.5
[M]+ 672.29559 265.4
[M]- 672.29669 265.4
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.