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 180.1
[M+Na]+ 359.14785 186.1
[M-H]- 335.15135 186.3
[M+NH4]+ 354.19245 186.8
[M+K]+ 375.12179 180.7
[M+H-H2O]+ 319.15589 167.6
[M+HCOO]- 381.15683 194.1
[M+CH3COO]- 395.17248 188.5
[M+Na-2H]- 357.13330 181.6
[M]+ 336.15808 176.6
[M]- 336.15918 176.6
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.