CID 378139

Nsc659941

Structural Information

Molecular Formula
C25H26ClNO3Sn
SMILES
CCOC(=O)C(C(C1=CC=CC=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)Cl)NC(=O)C
InChI
InChI=1S/C13H16NO3.2C6H5.ClH.Sn/c1-3-17-13(16)12(14-10(2)15)9-11-7-5-4-6-8-11;2*1-2-4-6-5-3-1;;/h4-9,12H,3H2,1-2H3,(H,14,15);2*1-5H;1H;/q;;;;+1/p-1
InChIKey
DDZBCVGSADJSNN-UHFFFAOYSA-M
Compound name
ethyl 2-acetamido-3-[chloro(diphenyl)stannyl]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.0623 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.06958 224.7
[M+Na]+ 566.05152 225.9
[M-H]- 542.05502 231.9
[M+NH4]+ 561.09612 232.0
[M+K]+ 582.02546 220.0
[M+H-H2O]+ 526.05956 214.1
[M+HCOO]- 588.06050 237.0
[M+CH3COO]- 602.07615 232.9
[M+Na-2H]- 564.03697 223.1
[M]+ 543.06175 226.8
[M]- 543.06285 226.8
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.