CID 16683150

Nsc628682

Structural Information

Molecular Formula
C30H26N2O6Pb
SMILES
C1=CC=C(C=C1)C(=O)NCC(=O)O[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)CNC(=O)C4=CC=CC=C4
InChI
InChI=1S/2C9H9NO3.2C6H5.Pb/c2*11-8(12)6-10-9(13)7-4-2-1-3-5-7;2*1-2-4-6-5-3-1;/h2*1-5H,6H2,(H,10,13)(H,11,12);2*1-5H;/q;;;;+2/p-2
InChIKey
MBRYLPJVYBFSGO-UHFFFAOYSA-L
Compound name
[(2-benzamidoacetyl)oxy-diphenylplumbyl] 2-benzamidoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

718.15576 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 719.16304 258.0
[M+Na]+ 741.14498 254.9
[M-H]- 717.14848 266.6
[M+NH4]+ 736.18958 257.8
[M+K]+ 757.11892 251.2
[M+H-H2O]+ 701.15302 243.3
[M+HCOO]- 763.15396 274.4
[M+CH3COO]- 777.16961 252.5
[M+Na-2H]- 739.13043 256.6
[M]+ 718.15521 257.5
[M]- 718.15631 257.5
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.