CID 16683258

Nsc661187

Structural Information

Molecular Formula
C36H32N4O4Sn
SMILES
CC1=NN(C(=C1C(=O)C)O[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)OC4=C(C(=NN4C5=CC=CC=C5)C)C(=O)C)C6=CC=CC=C6
InChI
InChI=1S/2C12H12N2O2.2C6H5.Sn/c2*1-8-11(9(2)15)12(16)14(13-8)10-6-4-3-5-7-10;2*1-2-4-6-5-3-1;/h2*3-7,16H,1-2H3;2*1-5H;/q;;;;+2/p-2
InChIKey
ZINRPXKGIKLKOS-UHFFFAOYSA-L
Compound name
1-[5-[(4-acetyl-5-methyl-2-phenylpyrazol-3-yl)oxy-diphenylstannyl]oxy-3-methyl-1-phenylpyrazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

704.14453 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 705.15181 261.2
[M+Na]+ 727.13375 265.3
[M-H]- 703.13725 275.0
[M+NH4]+ 722.17835 258.8
[M+K]+ 743.10769 258.3
[M+H-H2O]+ 687.14179 245.7
[M+HCOO]- 749.14273 275.0
[M+CH3COO]- 763.15838 265.1
[M+Na-2H]- 725.11920 254.5
[M]+ 704.14398 265.5
[M]- 704.14508 265.5
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.