CID 16683250

Nsc654601

Structural Information

Molecular Formula

C₂₅H₂₁NO₃Sn

SMILES

C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C4=C(C=CC(=C4)N)O

InChI

InChI=1S/C7H7NO3.3C6H5.Sn/c8-4-1-2-6(9)5(3-4)7(10)11;3*1-2-4-6-5-3-1;/h1-3,9H,8H2,(H,10,11);3*1-5H;/q;;;;+1/p-1

InChIKey

VBTWLXPFEPPPHN-UHFFFAOYSA-M

Compound name

triphenylstannyl 5-amino-2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 503.05435 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	504.06163	215.1
[M+Na]+	526.04357	218.4
[M-H]-	502.04707	224.4
[M+NH4]+	521.08817	222.2
[M+K]+	542.01751	211.9
[M+H-H2O]+	486.05161	203.2
[M+HCOO]-	548.05255	233.3
[M+CH3COO]-	562.06820	224.4
[M+Na-2H]-	524.02902	216.9
[M]+	503.05380	212.1
[M]-	503.05490	212.1

Literature stripe

literature stripe

Patent stripe

patents stripe