CID 16683160

Triphenylplumbyl 4-aminobenzoate

Structural Information

Molecular Formula
C25H21NO2Pb
SMILES
C1=CC=C(C=C1)[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C7H7NO2.3C6H5.Pb/c8-6-3-1-5(2-4-6)7(9)10;3*1-2-4-6-5-3-1;/h1-4H,8H2,(H,9,10);3*1-5H;/q;;;;+1/p-1
InChIKey
ZWRZOSDBPKAYQR-UHFFFAOYSA-M
Compound name
triphenylplumbyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

575.13385 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.14113 229.2
[M+Na]+ 598.12307 231.5
[M-H]- 574.12657 238.6
[M+NH4]+ 593.16767 236.3
[M+K]+ 614.09701 224.3
[M+H-H2O]+ 558.13111 216.0
[M+HCOO]- 620.13205 247.6
[M+CH3COO]- 634.14770 235.0
[M+Na-2H]- 596.10852 229.9
[M]+ 575.13330 225.9
[M]- 575.13440 225.9
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.