CID 3074423

1-(5-(4-morpholinyl)-4-phenyl-5-(phenylmethyl)-4,5-dihydro-1,3,4-selenadiazol-2-yl)ethanone

Structural Information

Molecular Formula
C21H23N3O2Se
SMILES
CC(=O)C1=NN(C([Se]1)(CC2=CC=CC=C2)N3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C21H23N3O2Se/c1-17(25)20-22-24(19-10-6-3-7-11-19)21(27-20,23-12-14-26-15-13-23)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3
InChIKey
ZVEPHKKAZUZQID-UHFFFAOYSA-N
Compound name
1-(5-benzyl-5-morpholin-4-yl-4-phenyl-1,3,4-selenadiazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.09555 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.10283 199.8
[M+Na]+ 452.08477 203.4
[M-H]- 428.08827 207.3
[M+NH4]+ 447.12937 208.3
[M+K]+ 468.05871 198.9
[M+H-H2O]+ 412.09281 186.6
[M+HCOO]- 474.09375 212.9
[M+CH3COO]- 488.10940 206.9
[M+Na-2H]- 450.07022 198.7
[M]+ 429.09500 195.7
[M]- 429.09610 195.7
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

No patent data available for this compound.