CID 16683135

Nsc628570

Structural Information

Molecular Formula
C18H19NO4Sn
SMILES
C1C(=O)O[Sn](N1CC(=O)O)(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/2C7H7.C4H6NO4.Sn/c2*1-7-5-3-2-4-6-7;6-3(7)1-5-2-4(8)9;/h2*2-6H,1H2;1-2H2,(H,6,7)(H,8,9);/q;;-1;+2/p-1
InChIKey
SHAGVVLQEINOPO-UHFFFAOYSA-M
Compound name
2-(2,2-dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.0336 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.04088 195.5
[M+Na]+ 456.02282 200.6
[M-H]- 432.02632 202.1
[M+NH4]+ 451.06742 207.9
[M+K]+ 471.99676 197.0
[M+H-H2O]+ 416.03086 185.9
[M+HCOO]- 478.03180 212.7
[M+CH3COO]- 492.04745 207.1
[M+Na-2H]- 454.00827 195.4
[M]+ 433.03305 195.6
[M]- 433.03415 195.6
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.