CID 3080234

127718-45-0

Structural Information

Molecular Formula
C19H20N4O
SMILES
C1CN(CCN1CC2=NN=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H20N4O/c1-3-7-16(8-4-1)19-21-20-18(24-19)15-22-11-13-23(14-12-22)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKey
AIAISCQREGDMJM-UHFFFAOYSA-N
Compound name
2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

320.1637 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 176.4
[M+Na]+ 343.15292 182.1
[M-H]- 319.15642 183.3
[M+NH4]+ 338.19752 184.2
[M+K]+ 359.12686 176.9
[M+H-H2O]+ 303.16096 163.3
[M+HCOO]- 365.16190 191.7
[M+CH3COO]- 379.17755 185.2
[M+Na-2H]- 341.13837 178.9
[M]+ 320.16315 172.8
[M]- 320.16425 172.8
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.