CID 165982109

En300-37384693

Structural Information

Molecular Formula
C20H39N3O2Sn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CN(N=N1)CC(=O)OC(C)(C)C
InChI
InChI=1S/C8H12N3O2.3C4H9.Sn/c1-8(2,3)13-7(12)6-11-5-4-9-10-11;3*1-3-4-2;/h5H,6H2,1-3H3;3*1,3-4H2,2H3;
InChIKey
OEVXPWGEFSMTIH-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-tributylstannyltriazol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.20642 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.21370 220.2
[M+Na]+ 496.19564 223.2
[M-H]- 472.19914 217.7
[M+NH4]+ 491.24024 229.8
[M+K]+ 512.16958 219.7
[M+H-H2O]+ 456.20368 210.4
[M+HCOO]- 518.20462 232.7
[M+CH3COO]- 532.22027 223.7
[M+Na-2H]- 494.18109 217.6
[M]+ 473.20587 227.4
[M]- 473.20697 227.4
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.