CID 378138

Nsc659940

Structural Information

Molecular Formula
C36H33NO3Sn
SMILES
CCOC(=O)C(C(C1=CC=CC=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5
InChI
InChI=1S/C18H18NO3.3C6H5.Sn/c1-2-22-18(21)16(13-14-9-5-3-6-10-14)19-17(20)15-11-7-4-8-12-15;3*1-2-4-6-5-3-1;/h3-13,16H,2H2,1H3,(H,19,20);3*1-5H;
InChIKey
YMZRPTIKPWROBI-UHFFFAOYSA-N
Compound name
ethyl 2-benzamido-3-phenyl-3-triphenylstannylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

647.14825 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 648.15553 251.5
[M+Na]+ 670.13747 248.3
[M-H]- 646.14097 262.5
[M+NH4]+ 665.18207 251.3
[M+K]+ 686.11141 242.1
[M+H-H2O]+ 630.14551 236.5
[M+HCOO]- 692.14645 265.5
[M+CH3COO]- 706.16210 252.9
[M+Na-2H]- 668.12292 249.5
[M]+ 647.14770 247.8
[M]- 647.14880 247.8
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.