CID 16684346

149849-42-3

Structural Information

Molecular Formula
C26H48N2O7Sn2
SMILES
CCCC[Sn](CCCC)(OC(=O)[C@@H]1CCC(=O)N1)O[Sn](CCCC)(CCCC)OC(=O)[C@@H]2CCC(=O)N2
InChI
InChI=1S/2C5H7NO3.4C4H9.O.2Sn/c2*7-4-2-1-3(6-4)5(8)9;4*1-3-4-2;;;/h2*3H,1-2H2,(H,6,7)(H,8,9);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2/t2*3-;;;;;;;/m00......./s1
InChIKey
IYBNKMSDYKQCRP-LBRSNSIMSA-L
Compound name
[dibutyl-[dibutyl-[(2S)-5-oxopyrrolidine-2-carbonyl]oxystannyl]oxystannyl] (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

740.1506 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 741.15788 270.8
[M+Na]+ 763.13982 266.0
[M-H]- 739.14332 267.6
[M+NH4]+ 758.18442 265.0
[M+K]+ 779.11376 262.4
[M+H-H2O]+ 723.14786 261.3
[M+HCOO]- 785.14880 275.1
[M+CH3COO]- 799.16445 247.6
[M+Na-2H]- 761.12527 259.4
[M]+ 740.15005 273.5
[M]- 740.15115 273.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.