CID 16683157

Nsc628689

Structural Information

Molecular Formula
C31H31NO3Pb
SMILES
CC(C)CC(C(=O)O[Pb](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C13H17NO3.3C6H5.Pb/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10;3*1-2-4-6-5-3-1;/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17);3*1-5H;/q;;;;+1/p-1
InChIKey
OYYAVILUDHUUGG-UHFFFAOYSA-M
Compound name
triphenylplumbyl 2-benzamido-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

673.20703 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 674.21431 254.8
[M+Na]+ 696.19625 252.3
[M-H]- 672.19975 263.1
[M+NH4]+ 691.24085 257.1
[M+K]+ 712.17019 246.4
[M+H-H2O]+ 656.20429 240.5
[M+HCOO]- 718.20523 268.9
[M+CH3COO]- 732.22088 246.4
[M+Na-2H]- 694.18170 251.0
[M]+ 673.20648 252.7
[M]- 673.20758 252.7
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.