CID 16684419

Nsc661189

Structural Information

Molecular Formula
C34H26Cl2N4O4Sn
SMILES
CC1=NN(C(=C1C(=O)C2=CC=CC=C2)O[Sn](OC3=C(C(=NN3C4=CC=CC=C4)C)C(=O)C5=CC=CC=C5)(Cl)Cl)C6=CC=CC=C6
InChI
InChI=1S/2C17H14N2O2.2ClH.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;;;/h2*2-11,21H,1H3;2*1H;/q;;;;+4/p-4
InChIKey
LONFZIHSKWNSEA-UHFFFAOYSA-J
Compound name
[5-[(4-benzoyl-5-methyl-2-phenylpyrazol-3-yl)oxy-dichlorostannyl]oxy-3-methyl-1-phenylpyrazol-4-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

744.03534 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.04262 263.8
[M+Na]+ 767.02456 269.8
[M-H]- 743.02806 276.7
[M+NH4]+ 762.06916 261.5
[M+K]+ 782.99850 262.0
[M+H-H2O]+ 727.03260 247.6
[M+HCOO]- 789.03354 268.8
[M+CH3COO]- 803.04919 267.4
[M+Na-2H]- 765.01001 256.9
[M]+ 744.03479 271.8
[M]- 744.03589 271.8
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.