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]+ 275.150246 163.8
[M+Na]+ 297.132188 169.9
[M-H]- 273.135694 166.9
[M+NH4]+ 292.176793 173.5
[M+K]+ 313.106128 166.4
[M+H-H2O]+ 257.140230 152.7
[M+HCOO]- 319.141171 178.5
[M+CH3COO]- 333.156821 173.3
[M+Na-2H]- 295.117636 166.7
[M]+ 274.14242142 161.0
[M]- 274.14351858 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.