CID 378142

Nsc659944

Structural Information

Molecular Formula
C31H31NO3Sn
SMILES
CCOC(=O)C(C(C)[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C13H16NO3.3C6H5.Sn/c1-3-11(13(16)17-4-2)14-12(15)10-8-6-5-7-9-10;3*1-2-4-6-5-3-1;/h3,5-9,11H,4H2,1-2H3,(H,14,15);3*1-5H;
InChIKey
XAVCEFRCAYZUNT-UHFFFAOYSA-N
Compound name
ethyl 2-benzamido-3-triphenylstannylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

585.13257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.13985 238.0
[M+Na]+ 608.12179 236.4
[M-H]- 584.12529 247.2
[M+NH4]+ 603.16639 241.5
[M+K]+ 624.09573 231.0
[M+H-H2O]+ 568.12983 224.8
[M+HCOO]- 630.13077 253.3
[M+CH3COO]- 644.14642 242.9
[M+Na-2H]- 606.10724 236.2
[M]+ 585.13202 236.1
[M]- 585.13312 236.1
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.