CID 16683180

Nsc633515

Structural Information

Molecular Formula
C16H34N2O4S2Sn
SMILES
CCCC[Sn](CCCC)(OC(=O)C(CSC)N)OC(=O)C(CSC)N
InChI
InChI=1S/2C4H9NO2S.2C4H9.Sn/c2*1-8-2-3(5)4(6)7;2*1-3-4-2;/h2*3H,2,5H2,1H3,(H,6,7);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
DETYOARHVFQRAC-UHFFFAOYSA-L
Compound name
[(2-amino-3-methylsulfanylpropanoyl)oxy-dibutylstannyl] 2-amino-3-methylsulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.0982 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.10548 215.8
[M+Na]+ 525.08742 214.1
[M-H]- 501.09092 211.1
[M+NH4]+ 520.13202 224.6
[M+K]+ 541.06136 210.0
[M+H-H2O]+ 485.09546 206.6
[M+HCOO]- 547.09640 219.6
[M+CH3COO]- 561.11205 228.8
[M+Na-2H]- 523.07287 207.2
[M]+ 502.09765 220.8
[M]- 502.09875 220.8
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.