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]+ 321.170976 176.4
[M+Na]+ 343.152918 182.1
[M-H]- 319.156424 183.3
[M+NH4]+ 338.197523 184.2
[M+K]+ 359.126858 176.9
[M+H-H2O]+ 303.160960 163.3
[M+HCOO]- 365.161901 191.7
[M+CH3COO]- 379.177551 185.2
[M+Na-2H]- 341.138366 178.9
[M]+ 320.16315142 172.8
[M]- 320.16424858 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.