CID 16684360

2847-65-6

Structural Information

Molecular Formula
C27H23NO3Sn
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)O[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C9H9NO3.3C6H5.Sn/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;3*1-2-4-6-5-3-1;/h2-5H,1H3,(H,10,11)(H,12,13);3*1-5H;/q;;;;+1/p-1
InChIKey
NNGKZQAAGFRBLE-UHFFFAOYSA-M
Compound name
triphenylstannyl 4-acetamidobenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

529.07 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.07728 222.6
[M+Na]+ 552.05922 224.5
[M-H]- 528.06272 233.0
[M+NH4]+ 547.10382 229.0
[M+K]+ 568.03316 218.6
[M+H-H2O]+ 512.06726 209.8
[M+HCOO]- 574.06820 241.3
[M+CH3COO]- 588.08385 231.1
[M+Na-2H]- 550.04467 224.2
[M]+ 529.06945 221.0
[M]- 529.07055 221.0
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

patents stripe