CID 85801900

387353-98-2

Structural Information

Molecular Formula
C18H36N2Sn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=C(N(N=C1C)C)C
InChI
InChI=1S/C6H9N2.3C4H9.Sn/c1-5-4-6(2)8(3)7-5;3*1-3-4-2;/h1-3H3;3*1,3-4H2,2H3;
InChIKey
DHOZVDFJSZWZLJ-UHFFFAOYSA-N
Compound name
tributyl-(1,3,5-trimethylpyrazol-4-yl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

400.19006 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19734 200.7
[M+Na]+ 423.17928 206.3
[M-H]- 399.18278 200.1
[M+NH4]+ 418.22388 215.4
[M+K]+ 439.15322 201.7
[M+H-H2O]+ 383.18732 192.1
[M+HCOO]- 445.18826 217.2
[M+CH3COO]- 459.20391 214.8
[M+Na-2H]- 421.16473 197.6
[M]+ 400.18951 206.8
[M]- 400.19061 206.8
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

patents stripe