CID 378140

Nsc659942

Structural Information

Molecular Formula
C32H33NO4Sn
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)C
InChI
InChI=1S/C14H18NO4.3C6H5.Sn/c1-4-19-14(17)13(15-10(2)16)9-11-5-7-12(18-3)8-6-11;3*1-2-4-6-5-3-1;/h5-9,13H,4H2,1-3H3,(H,15,16);3*1-5H;
InChIKey
AGNKTHJADVYJJF-UHFFFAOYSA-N
Compound name
ethyl 2-acetamido-3-(4-methoxyphenyl)-3-triphenylstannylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

615.1432 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 616.15048 245.4
[M+Na]+ 638.13242 243.9
[M-H]- 614.13592 254.8
[M+NH4]+ 633.17702 247.8
[M+K]+ 654.10636 239.4
[M+H-H2O]+ 598.14046 231.8
[M+HCOO]- 660.14140 260.5
[M+CH3COO]- 674.15705 248.9
[M+Na-2H]- 636.11787 242.6
[M]+ 615.14265 245.6
[M]- 615.14375 245.6
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.