CID 3067591

1,2-benzisoselenazol-3(2h)-one, 2-(4-phenylbutyl)-

Structural Information

Molecular Formula
C17H17NOSe
SMILES
C1=CC=C(C=C1)CCCCN2C(=O)C3=CC=CC=C3[Se]2
InChI
InChI=1S/C17H17NOSe/c19-17-15-11-4-5-12-16(15)20-18(17)13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12H,6-7,10,13H2
InChIKey
ZXGGIJPIROCVGY-UHFFFAOYSA-N
Compound name
2-(4-phenylbutyl)-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

331.04755 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.05483 171.6
[M+Na]+ 354.03677 187.5
[M+NH4]+ 349.08137 180.7
[M+K]+ 370.01071 178.8
[M-H]- 330.04027 176.4
[M+Na-2H]- 352.02222 180.4
[M]+ 331.04700 175.4
[M]- 331.04810 175.4
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

patents stripe