CID 16683156

Triphenylplumbyl 2-benzamidoacetate

Structural Information

Molecular Formula
C27H23NO3Pb
SMILES
C1=CC=C(C=C1)C(=O)NCC(=O)O[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C9H9NO3.3C6H5.Pb/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;3*1-2-4-6-5-3-1;/h1-5H,6H2,(H,10,13)(H,11,12);3*1-5H;/q;;;;+1/p-1
InChIKey
OCOHAFZLEQEPSR-UHFFFAOYSA-M
Compound name
triphenylplumbyl 2-benzamidoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

617.1445 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 618.15178 239.0
[M+Na]+ 640.13372 239.1
[M-H]- 616.13722 248.1
[M+NH4]+ 635.17832 243.9
[M+K]+ 656.10766 232.6
[M+H-H2O]+ 600.14176 225.1
[M+HCOO]- 662.14270 256.6
[M+CH3COO]- 676.15835 233.5
[M+Na-2H]- 638.11917 239.4
[M]+ 617.14395 236.8
[M]- 617.14505 236.8
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.