CID 15062215

3,5-dimethyl-4-(tributylstannyl)isoxazole

Structural Information

Molecular Formula
C17H33NOSn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=C(ON=C1C)C
InChI
InChI=1S/C5H6NO.3C4H9.Sn/c1-4-3-5(2)7-6-4;3*1-3-4-2;/h1-2H3;3*1,3-4H2,2H3;
InChIKey
PKYSINBSZIXTHF-UHFFFAOYSA-N
Compound name
tributyl-(3,5-dimethyl-1,2-oxazol-4-yl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

387.15842 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16570 196.1
[M+Na]+ 410.14764 201.1
[M-H]- 386.15114 197.2
[M+NH4]+ 405.19224 211.0
[M+K]+ 426.12158 198.3
[M+H-H2O]+ 370.15568 188.2
[M+HCOO]- 432.15662 213.5
[M+CH3COO]- 446.17227 209.9
[M+Na-2H]- 408.13309 195.1
[M]+ 387.15787 202.8
[M]- 387.15897 202.8
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