CID 16684416

Nsc628572

Structural Information

Molecular Formula
C22H30N2O4Sn
SMILES
CCCC[Sn](CCCC)(NC1=CC=CC=C1C(=O)O)OC(=O)C2=CC=CC=C2N
InChI
InChI=1S/C7H7NO2.C7H6NO2.2C4H9.Sn/c2*8-6-4-2-1-3-5(6)7(9)10;2*1-3-4-2;/h1-4H,8H2,(H,9,10);1-4,8H,(H,9,10);2*1,3-4H2,2H3;/q;-1;;;+2/p-1
InChIKey
TXGDXSALYZXALJ-UHFFFAOYSA-M
Compound name
2-[[(2-aminobenzoyl)oxy-dibutylstannyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.12277 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.13005 219.1
[M+Na]+ 529.11199 220.3
[M-H]- 505.11549 221.8
[M+NH4]+ 524.15659 226.8
[M+K]+ 545.08593 215.9
[M+H-H2O]+ 489.12003 208.8
[M+HCOO]- 551.12097 236.5
[M+CH3COO]- 565.13662 230.7
[M+Na-2H]- 527.09744 216.9
[M]+ 506.12222 220.1
[M]- 506.12332 220.1
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.