CID 16683165

Nsc633498

Structural Information

Molecular Formula
C15H23NO2Sn
SMILES
CCCC[Sn]1(OC2=CC=CC=C2C=NO1)CCCC
InChI
InChI=1S/C7H7NO2.2C4H9.Sn/c9-7-4-2-1-3-6(7)5-8-10;2*1-3-4-2;/h1-5,9-10H;2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKey
HYDNNXIUXSPNHY-UHFFFAOYSA-L
Compound name
2,2-dibutyl-1,3,4,2-benzodioxazastannepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.07507 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.08235 177.8
[M+Na]+ 392.06429 182.4
[M-H]- 368.06779 181.8
[M+NH4]+ 387.10889 191.6
[M+K]+ 408.03823 184.4
[M+H-H2O]+ 352.07233 169.8
[M+HCOO]- 414.07327 194.1
[M+CH3COO]- 428.08892 202.2
[M+Na-2H]- 390.04974 183.7
[M]+ 369.07452 179.3
[M]- 369.07562 179.3
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.