CID 16227595

1417566-84-7

Structural Information

Molecular Formula
C14H18N4O
SMILES
CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCNCC3
InChI
InChI=1S/C14H18N4O/c1-11-2-4-12(5-3-11)14-16-13(19-17-14)10-18-8-6-15-7-9-18/h2-5,15H,6-10H2,1H3
InChIKey
VLTQMKPBOCRLEA-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

258.14807 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.15535 161.3
[M+Na]+ 281.13729 167.6
[M-H]- 257.14079 164.3
[M+NH4]+ 276.18189 171.8
[M+K]+ 297.11123 163.5
[M+H-H2O]+ 241.14533 150.3
[M+HCOO]- 303.14627 175.7
[M+CH3COO]- 317.16192 170.9
[M+Na-2H]- 279.12274 164.0
[M]+ 258.14752 157.1
[M]- 258.14862 157.1
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

patents stripe