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 201.2
[M+Na]+ 450.10549 204.3
[M-H]- 426.10899 208.0
[M+NH4]+ 445.15009 211.2
[M+K]+ 466.07943 197.9
[M+H-H2O]+ 410.11353 187.7
[M+HCOO]- 472.11447 214.7
[M+CH3COO]- 486.13012 208.0
[M+Na-2H]- 448.09094 199.1
[M]+ 427.11572 195.5
[M]- 427.11682 195.5
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.