CID 16684361

Tributyltin p-acetaminobenzoate

Structural Information

Molecular Formula
C21H35NO3Sn
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C9H9NO3.3C4H9.Sn/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;3*1-3-4-2;/h2-5H,1H3,(H,10,11)(H,12,13);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
UBRZUYJGFBYTDE-UHFFFAOYSA-M
Compound name
tributylstannyl 4-acetamidobenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

469.1639 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.17118 209.9
[M+Na]+ 492.15312 217.4
[M+NH4]+ 487.19772 214.1
[M+K]+ 508.12706 210.3
[M-H]- 468.15662 209.6
[M+Na-2H]- 490.13857 211.1
[M]+ 469.16335 210.6
[M]- 469.16445 210.6
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

patents stripe