CID 5276693

3-[(4-benzylpiperazin-1-yl)methyl]-5-(4-pyridyl)-1,3,4-oxadiazol-2-one

Structural Information

Molecular Formula
C19H21N5O2
SMILES
C1CN(CCN1CC2=CC=CC=C2)CN3C(=O)OC(=N3)C4=CC=NC=C4
InChI
InChI=1S/C19H21N5O2/c25-19-24(21-18(26-19)17-6-8-20-9-7-17)15-23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9H,10-15H2
InChIKey
PHPBWYFRWZMZML-UHFFFAOYSA-N
Compound name
3-[(4-benzylpiperazin-1-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.16953 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17681 184.5
[M+Na]+ 374.15875 191.2
[M-H]- 350.16225 190.6
[M+NH4]+ 369.20335 189.8
[M+K]+ 390.13269 185.6
[M+H-H2O]+ 334.16679 170.8
[M+HCOO]- 396.16773 198.6
[M+CH3COO]- 410.18338 192.7
[M+Na-2H]- 372.14420 186.1
[M]+ 351.16898 182.4
[M]- 351.17008 182.4
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.