CID 212731

24796-55-2

Structural Information

Molecular Formula
C14H20N5O
SMILES
CC1=C([N+](=NO1)N2CCN(CC2)CC3=CC=CC=C3)N
InChI
InChI=1S/C14H20N5O/c1-12-14(15)19(16-20-12)18-9-7-17(8-10-18)11-13-5-3-2-4-6-13/h2-6H,7-11,15H2,1H3/q+1
InChIKey
BALIWCNCFNTEDH-UHFFFAOYSA-N
Compound name
3-(4-benzylpiperazin-1-yl)-5-methyloxadiazol-3-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16678 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17406 162.2
[M+Na]+ 297.15600 176.9
[M+NH4]+ 292.20060 170.0
[M+K]+ 313.12994 173.5
[M-H]- 273.15950 169.0
[M+Na-2H]- 295.14145 170.2
[M]+ 274.16623 166.4
[M]- 274.16733 166.4
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.