CID 16683259

Nsc664010

Structural Information

Molecular Formula
C46H36N4O4Sn
SMILES
CC1=NN(C(=C1C(=O)C2=CC=CC=C2)O[Sn](C3=CC=CC=C3)(C4=CC=CC=C4)OC5=C(C(=NN5C6=CC=CC=C6)C)C(=O)C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/2C17H14N2O2.2C6H5.Sn/c2*1-12-15(16(20)13-8-4-2-5-9-13)17(21)19(18-12)14-10-6-3-7-11-14;2*1-2-4-6-5-3-1;/h2*2-11,21H,1H3;2*1-5H;/q;;;;+2/p-2
InChIKey
ZDNXKMIXSQXFHS-UHFFFAOYSA-L
Compound name
[5-[(4-benzoyl-5-methyl-2-phenylpyrazol-3-yl)oxy-diphenylstannyl]oxy-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

828.17584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 829.18312 280.0
[M+Na]+ 851.16506 280.5
[M-H]- 827.16856 297.1
[M+NH4]+ 846.20966 270.7
[M+K]+ 867.13900 272.7
[M+H-H2O]+ 811.17310 261.5
[M+HCOO]- 873.17404 290.8
[M+CH3COO]- 887.18969 280.6
[M+Na-2H]- 849.15051 272.6
[M]+ 828.17529 280.2
[M]- 828.17639 280.2
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.