CID 16683159

Nsc628691

Structural Information

Molecular Formula
C29H27NO3Pb
SMILES
CC(=O)NC(CC1=CC=CC=C1)C(=O)O[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C11H13NO3.3C6H5.Pb/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9;3*1-2-4-6-5-3-1;/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15);3*1-5H;/q;;;;+1/p-1
InChIKey
LZASNQRABFTQAD-UHFFFAOYSA-M
Compound name
triphenylplumbyl 2-acetamido-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

645.1757 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 646.18298 247.0
[M+Na]+ 668.16492 245.8
[M-H]- 644.16842 255.8
[M+NH4]+ 663.20952 250.7
[M+K]+ 684.13886 239.7
[M+H-H2O]+ 628.17296 233.0
[M+HCOO]- 690.17390 262.9
[M+CH3COO]- 704.18955 240.0
[M+Na-2H]- 666.15037 245.4
[M]+ 645.17515 244.9
[M]- 645.17625 244.9
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.