CID 16683025

Disodium;2-[9-(carboxylatomethyl)-4,11-dioxo-1,3-dioxa-6,9-diaza-2lambda2-plumbacycloundec-6-yl]acetate

Structural Information

Molecular Formula
C10H14N2O8Pb
SMILES
C1CN(CC(=O)O[Pb]OC(=O)CN1CC(=O)O)CC(=O)O
InChI
InChI=1S/C10H16N2O8.Pb/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+2/p-2
InChIKey
DSNDFKZAOUSNTQ-UHFFFAOYSA-L
Compound name
2-[9-(carboxymethyl)-4,11-dioxo-1,3-dioxa-6,9-diaza-2lambda2-plumbacycloundec-6-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

498.05167 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.05895 199.3
[M+Na]+ 521.04089 202.3
[M-H]- 497.04439 194.6
[M+NH4]+ 516.08549 202.1
[M+K]+ 537.01483 203.4
[M+H-H2O]+ 481.04893 193.2
[M+HCOO]- 543.04987 207.4
[M+CH3COO]- 557.06552 200.4
[M+Na-2H]- 519.02634 195.4
[M]+ 498.05112 195.9
[M]- 498.05222 195.9
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.