CID 3080235

Brn 4206454

Structural Information

Molecular Formula
C19H20N4O2
SMILES
C1CN(CCN1CC2=NN=C(O2)C3=CC=CC=C3O)C4=CC=CC=C4
InChI
InChI=1S/C19H20N4O2/c24-17-9-5-4-8-16(17)19-21-20-18(25-19)14-22-10-12-23(13-11-22)15-6-2-1-3-7-15/h1-9,24H,10-14H2
InChIKey
LHGUNLZJBCAMQG-UHFFFAOYSA-N
Compound name
2-[5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.15863 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 181.2
[M+Na]+ 359.14785 196.3
[M+NH4]+ 354.19245 187.8
[M+K]+ 375.12179 190.8
[M-H]- 335.15135 187.8
[M+Na-2H]- 357.13330 190.4
[M]+ 336.15808 185.2
[M]- 336.15918 185.2
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.