CID 378141

Nsc659943

Structural Information

Molecular Formula
C37H35NO4Sn
SMILES
CCOC(=O)C(C(C1=CC=C(C=C1)OC)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5
InChI
InChI=1S/C19H20NO4.3C6H5.Sn/c1-3-24-19(22)17(13-14-9-11-16(23-2)12-10-14)20-18(21)15-7-5-4-6-8-15;3*1-2-4-6-5-3-1;/h4-13,17H,3H2,1-2H3,(H,20,21);3*1-5H;
InChIKey
FPLSCSICRMSECF-UHFFFAOYSA-N
Compound name
ethyl 2-benzamido-3-(4-methoxyphenyl)-3-triphenylstannylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

677.1588 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 678.16608 258.9
[M+Na]+ 700.14802 255.8
[M-H]- 676.15152 270.1
[M+NH4]+ 695.19262 257.6
[M+K]+ 716.12196 250.6
[M+H-H2O]+ 660.15606 243.5
[M+HCOO]- 722.15700 272.7
[M+CH3COO]- 736.17265 258.8
[M+Na-2H]- 698.13347 255.9
[M]+ 677.15825 257.2
[M]- 677.15935 257.2
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.