CID 16683154

Nsc628686

Structural Information

Molecular Formula
C26H22N2O4Pb
SMILES
C1=CC=C(C=C1)[Pb](C2=CC=CC=C2)(OC(=O)C3=CC=C(C=C3)N)OC(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/2C7H7NO2.2C6H5.Pb/c2*8-6-3-1-5(2-4-6)7(9)10;2*1-2-4-6-5-3-1;/h2*1-4H,8H2,(H,9,10);2*1-5H;/q;;;;+2/p-2
InChIKey
BPMGWPCNWITOQC-UHFFFAOYSA-L
Compound name
[(4-aminobenzoyl)oxy-diphenylplumbyl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

634.1346 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.14188 241.2
[M+Na]+ 657.12382 242.4
[M-H]- 633.12732 250.3
[M+NH4]+ 652.16842 245.2
[M+K]+ 673.09776 236.9
[M+H-H2O]+ 617.13186 227.5
[M+HCOO]- 679.13280 259.1
[M+CH3COO]- 693.14845 239.5
[M+Na-2H]- 655.10927 239.9
[M]+ 634.13405 238.5
[M]- 634.13515 238.5
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.