CID 16227517

1052553-32-8

Structural Information

Molecular Formula
C14H18N4O2
SMILES
COC1=CC=C(C=C1)C2=NOC(=N2)CN3CCNCC3
InChI
InChI=1S/C14H18N4O2/c1-19-12-4-2-11(3-5-12)14-16-13(20-17-14)10-18-8-6-15-7-9-18/h2-5,15H,6-10H2,1H3
InChIKey
WIHPMMXMFPHDSG-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.14297 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15025 163.8
[M+Na]+ 297.13219 169.9
[M-H]- 273.13569 166.9
[M+NH4]+ 292.17679 173.5
[M+K]+ 313.10613 166.4
[M+H-H2O]+ 257.14023 152.7
[M+HCOO]- 319.14117 178.5
[M+CH3COO]- 333.15682 173.3
[M+Na-2H]- 295.11764 166.7
[M]+ 274.14242 161.0
[M]- 274.14352 161.0
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.