CID 11340561

280121-60-0

Structural Information

Molecular Formula
C21H36N4OSn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=NN(N=N1)COCC2=CC=CC=C2
InChI
InChI=1S/C9H9N4O.3C4H9.Sn/c1-2-4-9(5-3-1)6-14-8-13-11-7-10-12-13;3*1-3-4-2;/h1-5H,6,8H2;3*1,3-4H2,2H3;
InChIKey
KQKFNIVNRRMMHA-UHFFFAOYSA-N
Compound name
tributyl-[2-(phenylmethoxymethyl)tetrazol-5-yl]stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

480.1911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.19838 218.8
[M+Na]+ 503.18032 222.0
[M-H]- 479.18382 217.7
[M+NH4]+ 498.22492 226.0
[M+K]+ 519.15426 216.2
[M+H-H2O]+ 463.18836 205.9
[M+HCOO]- 525.18930 233.0
[M+CH3COO]- 539.20495 223.9
[M+Na-2H]- 501.16577 217.7
[M]+ 480.19055 224.5
[M]- 480.19165 224.5
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

patents stripe