CID 16683153

Nsc628685

Structural Information

Molecular Formula
C34H34N2O6Pb
SMILES
CC(=O)NC(CC1=CC=CC=C1)C(=O)O[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C(CC4=CC=CC=C4)NC(=O)C
InChI
InChI=1S/2C11H13NO3.2C6H5.Pb/c2*1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9;2*1-2-4-6-5-3-1;/h2*2-6,10H,7H2,1H3,(H,12,13)(H,14,15);2*1-5H;/q;;;;+2/p-2
InChIKey
JIYBCJAVPASZFF-UHFFFAOYSA-L
Compound name
[(2-acetamido-3-phenylpropanoyl)oxy-diphenylplumbyl] 2-acetamido-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

774.2183 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 775.22558 272.8
[M+Na]+ 797.20752 267.2
[M-H]- 773.21102 280.6
[M+NH4]+ 792.25212 270.1
[M+K]+ 813.18146 264.5
[M+H-H2O]+ 757.21556 258.0
[M+HCOO]- 819.21650 285.9
[M+CH3COO]- 833.23215 265.1
[M+Na-2H]- 795.19297 267.6
[M]+ 774.21775 272.5
[M]- 774.21885 272.5
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.