CID 6448762

2-benzylidene-3-phenyl-5-acetyl-1,3,4-selenadiazole

Structural Information

Molecular Formula
C17H14N2OSe
SMILES
CC(=O)C1=NN(/C(=C/C2=CC=CC=C2)/[Se]1)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2OSe/c1-13(20)17-18-19(15-10-6-3-7-11-15)16(21-17)12-14-8-4-2-5-9-14/h2-12H,1H3/b16-12-
InChIKey
HTHDCEVFPFDJOW-VBKFSLOCSA-N
Compound name
1-[(5Z)-5-benzylidene-4-phenyl-1,3,4-selenadiazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.02713 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.03441 177.0
[M+Na]+ 365.01635 183.7
[M-H]- 341.01985 183.5
[M+NH4]+ 360.06095 190.9
[M+K]+ 380.99029 177.7
[M+H-H2O]+ 325.02439 166.5
[M+HCOO]- 387.02533 197.0
[M+CH3COO]- 401.04098 187.3
[M+Na-2H]- 363.00180 177.6
[M]+ 342.02658 175.2
[M]- 342.02768 175.2
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.