CID 3067577

1,2-benzisoselenazol-3(2h)-one, 2-(4-(dimethylamino)phenyl)-

Structural Information

Molecular Formula
C15H14N2OSe
SMILES
CN(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2
InChI
InChI=1S/C15H14N2OSe/c1-16(2)11-7-9-12(10-8-11)17-15(18)13-5-3-4-6-14(13)19-17/h3-10H,1-2H3
InChIKey
IDMRJPMYKDMINP-UHFFFAOYSA-N
Compound name
2-[4-(dimethylamino)phenyl]-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

318.02713 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.03441 165.8
[M+Na]+ 341.01635 181.3
[M+NH4]+ 336.06095 175.0
[M+K]+ 356.99029 174.3
[M-H]- 317.01985 171.3
[M+Na-2H]- 339.00180 174.9
[M]+ 318.02658 169.7
[M]- 318.02768 169.7
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