CID 16683173

Nsc633507

Structural Information

Molecular Formula
C18H20N2O4Sn
SMILES
C1CN([Sn](OC(=O)CN1)(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O
InChI
InChI=1S/C6H11N2O4.2C6H5.Sn/c9-5(10)3-7-1-2-8-4-6(11)12;2*1-2-4-6-5-3-1;/h7H,1-4H2,(H,9,10)(H,11,12);2*1-5H;/q-1;;;+2/p-1
InChIKey
HSTVUKNHRFGHEQ-UHFFFAOYSA-M
Compound name
2-(8-oxo-2,2-diphenyl-1,3,6,2-oxadiazastannocan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.04453 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.05181 178.3
[M+Na]+ 471.03375 181.6
[M-H]- 447.03725 180.0
[M+NH4]+ 466.07835 181.9
[M+K]+ 487.00769 180.6
[M+H-H2O]+ 431.04179 172.2
[M+HCOO]- 493.04273 183.4
[M+CH3COO]- 507.05838 180.5
[M+Na-2H]- 469.01920 176.5
[M]+ 448.04398 176.0
[M]- 448.04508 176.0
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.