CID 511848

2-(2,3,4,5,6-pentahydroxyhexyl)-1,2-benzoselenazol-3-one

Structural Information

Molecular Formula
C13H17NO6Se
SMILES
C1=CC=C2C(=C1)C(=O)N([Se]2)CC(C(C(C(CO)O)O)O)O
InChI
InChI=1S/C13H17NO6Se/c15-6-9(17)12(19)11(18)8(16)5-14-13(20)7-3-1-2-4-10(7)21-14/h1-4,8-9,11-12,15-19H,5-6H2
InChIKey
CLENRTMCDROLTF-UHFFFAOYSA-N
Compound name
2-(2,3,4,5,6-pentahydroxyhexyl)-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.02213 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.02941 177.0
[M+Na]+ 386.01135 181.8
[M-H]- 362.01485 173.4
[M+NH4]+ 381.05595 189.2
[M+K]+ 401.98529 178.8
[M+H-H2O]+ 346.01939 170.5
[M+HCOO]- 408.02033 189.6
[M+CH3COO]- 422.03598 194.7
[M+Na-2H]- 383.99680 174.9
[M]+ 363.02158 177.1
[M]- 363.02268 177.1
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.