CID 16684361

Stannane, ((p-acetamidobenzoyl)oxy)tributyl-

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 215.7
[M+Na]+ 492.15312 217.1
[M-H]- 468.15662 216.6
[M+NH4]+ 487.19772 226.9
[M+K]+ 508.12706 213.4
[M+H-H2O]+ 452.16116 206.6
[M+HCOO]- 514.16210 233.1
[M+CH3COO]- 528.17775 225.5
[M+Na-2H]- 490.13857 212.8
[M]+ 469.16335 220.9
[M]- 469.16445 220.9
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