CID 3080236

Brn 4208879

Structural Information

Molecular Formula
C20H22N4O3
SMILES
COC1=C(C=C(C=C1)C2=NN=C(O2)CN3CCN(CC3)C4=CC=CC=C4)O
InChI
InChI=1S/C20H22N4O3/c1-26-18-8-7-15(13-17(18)25)20-22-21-19(27-20)14-23-9-11-24(12-10-23)16-5-3-2-4-6-16/h2-8,13,25H,9-12,14H2,1H3
InChIKey
NYHALSOJLDPMBC-UHFFFAOYSA-N
Compound name
2-methoxy-5-[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

366.1692 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17648 188.0
[M+Na]+ 389.15842 194.2
[M-H]- 365.16192 194.5
[M+NH4]+ 384.20302 193.7
[M+K]+ 405.13236 189.4
[M+H-H2O]+ 349.16646 175.4
[M+HCOO]- 411.16740 201.8
[M+CH3COO]- 425.18305 196.2
[M+Na-2H]- 387.14387 188.4
[M]+ 366.16865 186.6
[M]- 366.16975 186.6
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.