CID 16683152

Nsc628684

Structural Information

Molecular Formula
C32H30N2O6Pb
SMILES
C1=CC=C(C=C1)CC(C(=O)O[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C(CC4=CC=CC=C4)NC=O)NC=O
InChI
InChI=1S/2C10H11NO3.2C6H5.Pb/c2*12-7-11-9(10(13)14)6-8-4-2-1-3-5-8;2*1-2-4-6-5-3-1;/h2*1-5,7,9H,6H2,(H,11,12)(H,13,14);2*1-5H;/q;;;;+2/p-2
InChIKey
MXLHETUGCNIIPK-UHFFFAOYSA-L
Compound name
[(2-formamido-3-phenylpropanoyl)oxy-diphenylplumbyl] 2-formamido-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

746.187 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 747.19428 265.6
[M+Na]+ 769.17622 261.2
[M-H]- 745.17972 273.5
[M+NH4]+ 764.22082 263.9
[M+K]+ 785.15016 257.3
[M+H-H2O]+ 729.18426 250.3
[M+HCOO]- 791.18520 281.1
[M+CH3COO]- 805.20085 259.2
[M+Na-2H]- 767.16167 263.2
[M]+ 746.18645 265.7
[M]- 746.18755 265.7
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.