CID 16683247

Nsc653552

Structural Information

Molecular Formula
C24H32Br2N2O4Sn
SMILES
CCCC[Sn](CCCC)(ON(C)C(=O)C1=CC=C(C=C1)Br)ON(C)C(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/2C8H7BrNO2.2C4H9.Sn/c2*1-10(12)8(11)6-2-4-7(9)5-3-6;2*1-3-4-2;/h2*2-5H,1H3;2*1,3-4H2,2H3;/q2*-1;;;+2
InChIKey
OOTAYAVNQATVRR-UHFFFAOYSA-N
Compound name
4-bromo-N-[[(4-bromobenzoyl)-methylamino]oxy-dibutylstannyl]oxy-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

689.9751 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 690.98238 231.1
[M+Na]+ 712.96432 234.0
[M-H]- 688.96782 239.1
[M+NH4]+ 708.00892 239.4
[M+K]+ 728.93826 219.5
[M+H-H2O]+ 672.97236 233.1
[M+HCOO]- 734.97330 242.8
[M+CH3COO]- 748.98895 254.8
[M+Na-2H]- 710.94977 228.6
[M]+ 689.97455 269.0
[M]- 689.97565 269.0
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.