CID 16683158

Nsc628690

Structural Information

Molecular Formula
C28H25NO3Pb
SMILES
C1=CC=C(C=C1)CC(C(=O)O[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC=O
InChI
InChI=1S/C10H11NO3.3C6H5.Pb/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8;3*1-2-4-6-5-3-1;/h1-5,7,9H,6H2,(H,11,12)(H,13,14);3*1-5H;/q;;;;+1/p-1
InChIKey
MZUNZAVGNHBCPJ-UHFFFAOYSA-M
Compound name
triphenylplumbyl 2-formamido-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

631.1601 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 632.16738 243.0
[M+Na]+ 654.14932 242.5
[M-H]- 630.15282 251.8
[M+NH4]+ 649.19392 247.2
[M+K]+ 670.12326 235.9
[M+H-H2O]+ 614.15736 228.9
[M+HCOO]- 676.15830 260.2
[M+CH3COO]- 690.17395 236.9
[M+Na-2H]- 652.13477 242.9
[M]+ 631.15955 241.1
[M]- 631.16065 241.1
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.