CID 15738842

3,5-dimethyl-4-(tributylstannyl)-1h-pyrazole

Structural Information

Molecular Formula
C17H34N2Sn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=C(NN=C1C)C
InChI
InChI=1S/C5H7N2.3C4H9.Sn/c1-4-3-5(2)7-6-4;3*1-3-4-2;/h1-2H3,(H,6,7);3*1,3-4H2,2H3;
InChIKey
QXEVMUDFKAMNDZ-UHFFFAOYSA-N
Compound name
tributyl-(3,5-dimethyl-1H-pyrazol-4-yl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1744 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18168 197.4
[M+Na]+ 409.16362 201.9
[M-H]- 385.16712 195.1
[M+NH4]+ 404.20822 211.5
[M+K]+ 425.13756 196.7
[M+H-H2O]+ 369.17166 188.7
[M+HCOO]- 431.17260 212.7
[M+CH3COO]- 445.18825 208.0
[M+Na-2H]- 407.14907 194.9
[M]+ 386.17385 200.7
[M]- 386.17495 200.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.