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 167.8
[M+Na]+ 341.01635 177.6
[M-H]- 317.01985 176.0
[M+NH4]+ 336.06095 186.4
[M+K]+ 356.99029 173.3
[M+H-H2O]+ 301.02439 158.9
[M+HCOO]- 363.02533 193.4
[M+CH3COO]- 377.04098 180.9
[M+Na-2H]- 339.00180 172.4
[M]+ 318.02658 171.4
[M]- 318.02768 171.4
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