CID 3076058

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

Structural Information

Molecular Formula
C22H25N3OSe
SMILES
CC(=O)C1=NN(C([Se]1)(CC2=CC=CC=C2)N3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H25N3OSe/c1-18(26)21-23-25(20-13-7-3-8-14-20)22(27-21,24-15-9-4-10-16-24)17-19-11-5-2-6-12-19/h2-3,5-8,11-14H,4,9-10,15-17H2,1H3
InChIKey
IQEVXHCAWOIYPH-UHFFFAOYSA-N
Compound name
1-(5-benzyl-4-phenyl-5-piperidin-1-yl-1,3,4-selenadiazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.11627 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.12355 200.2
[M+Na]+ 450.10549 213.6
[M+NH4]+ 445.15009 208.8
[M+K]+ 466.07943 204.3
[M-H]- 426.10899 206.4
[M+Na-2H]- 448.09094 210.3
[M]+ 427.11572 204.0
[M]- 427.11682 204.0
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.