CID 16683137

Nsc628573

Structural Information

Molecular Formula
C30H48N2O5Sn2
SMILES
CCCC[Sn](CCCC)(OC(=O)C1=CC=CC=C1N)O[Sn](CCCC)(CCCC)OC(=O)C2=CC=CC=C2N
InChI
InChI=1S/2C7H7NO2.4C4H9.O.2Sn/c2*8-6-4-2-1-3-5(6)7(9)10;4*1-3-4-2;;;/h2*1-4H,8H2,(H,9,10);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKey
VFPKQTFSBKDLSG-UHFFFAOYSA-L
Compound name
[[(2-aminobenzoyl)oxy-dibutylstannyl]oxy-dibutylstannyl] 2-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

756.1607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 757.16798 280.2
[M+Na]+ 779.14992 277.0
[M-H]- 755.15342 281.3
[M+NH4]+ 774.19452 281.3
[M+K]+ 795.12386 272.6
[M+H-H2O]+ 739.15796 267.4
[M+HCOO]- 801.15890 292.7
[M+CH3COO]- 815.17455 264.3
[M+Na-2H]- 777.13537 272.6
[M]+ 756.16015 285.8
[M]- 756.16125 285.8
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

No patent data available for this compound.