CID 16683151

Nsc628683

Structural Information

Molecular Formula
C38H42N2O6Pb
SMILES
CC(C)CC(C(=O)O[Pb](C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C(CC(C)C)NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/2C13H17NO3.2C6H5.Pb/c2*1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10;2*1-2-4-6-5-3-1;/h2*3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17);2*1-5H;/q;;;;+2/p-2
InChIKey
BZFUIJBYZCHBQU-UHFFFAOYSA-L
Compound name
[(2-benzamido-4-methylpentanoyl)oxy-diphenylplumbyl] 2-benzamido-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

830.28094 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 831.28822 286.4
[M+Na]+ 853.27016 278.3
[M-H]- 829.27366 293.4
[M+NH4]+ 848.31476 281.1
[M+K]+ 869.24410 276.7
[M+H-H2O]+ 813.27820 271.6
[M+HCOO]- 875.27914 296.2
[M+CH3COO]- 889.29479 277.4
[M+Na-2H]- 851.25561 277.5
[M]+ 830.28039 286.3
[M]- 830.28149 286.3
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.