CID 16683127

Nsc628562

Structural Information

Molecular Formula
C19H15NO3Sn
SMILES
C1=CC=C(C=C1)[Sn]2(OC3=C(C=CC(=C3)N)C(=O)O2)C4=CC=CC=C4
InChI
InChI=1S/C7H7NO3.2C6H5.Sn/c8-4-1-2-5(7(10)11)6(9)3-4;2*1-2-4-6-5-3-1;/h1-3,9H,8H2,(H,10,11);2*1-5H;/q;;;+2/p-2
InChIKey
ZZZTUTZUPNGAHB-UHFFFAOYSA-L
Compound name
7-amino-2,2-diphenyl-1,3,2-benzodioxastannin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.0074 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.01468 194.3
[M+Na]+ 447.99662 201.6
[M-H]- 424.00012 204.9
[M+NH4]+ 443.04122 206.6
[M+K]+ 463.97056 198.3
[M+H-H2O]+ 408.00466 183.4
[M+HCOO]- 470.00560 212.8
[M+CH3COO]- 484.02125 204.2
[M+Na-2H]- 445.98207 199.8
[M]+ 425.00685 193.1
[M]- 425.00795 193.1
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.