CID 2813970

Oprea1_857424

Structural Information

Molecular Formula
C26H24N4O2
SMILES
C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=NN=C(O4)C5=CC=CC=C5
InChI
InChI=1S/C26H24N4O2/c31-26(25-28-27-24(32-25)22-14-8-3-9-15-22)30-18-16-29(17-19-30)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,23H,16-19H2
InChIKey
LKYCGZFZXHQEQN-UHFFFAOYSA-N
Compound name
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

424.1899 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.197176 201.7
[M+Na]+ 447.179118 204.7
[M-H]- 423.182624 211.2
[M+NH4]+ 442.223723 204.0
[M+K]+ 463.153058 198.8
[M+H-H2O]+ 407.187160 187.1
[M+HCOO]- 469.188101 213.9
[M+CH3COO]- 483.203751 207.9
[M+Na-2H]- 445.164566 200.8
[M]+ 424.18935142 197.0
[M]- 424.19044858 197.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.