CID 3067570

81743-93-3

Structural Information

Molecular Formula
C16H13NO3Se
SMILES
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2
InChI
InChI=1S/C16H13NO3Se/c1-2-20-16(19)11-7-9-12(10-8-11)17-15(18)13-5-3-4-6-14(13)21-17/h3-10H,2H2,1H3
InChIKey
HZHSBIKDHMXFAA-UHFFFAOYSA-N
Compound name
ethyl 4-(3-oxo-1,2-benzoselenazol-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

347.00607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.01335 172.5
[M+Na]+ 369.99529 187.6
[M+NH4]+ 365.03989 180.2
[M+K]+ 385.96923 181.2
[M-H]- 345.99879 175.9
[M+Na-2H]- 367.98074 180.0
[M]+ 347.00552 175.6
[M]- 347.00662 175.6
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.