CID 212725

24796-51-8

Structural Information

Molecular Formula
C12H15ClN5O
SMILES
C1CN(CCN1C2=CC=C(C=C2)Cl)[N+]3=NOC=C3N
InChI
InChI=1S/C12H15ClN5O/c13-10-1-3-11(4-2-10)16-5-7-17(8-6-16)18-12(14)9-19-15-18/h1-4,9H,5-8,14H2/q+1
InChIKey
LCUPTYMHNDDJJC-UHFFFAOYSA-N
Compound name
3-[4-(4-chlorophenyl)piperazin-1-yl]oxadiazol-3-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.09653 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.10381 164.0
[M+Na]+ 303.08575 171.6
[M-H]- 279.08925 168.3
[M+NH4]+ 298.13035 174.4
[M+K]+ 319.05969 161.7
[M+H-H2O]+ 263.09379 155.6
[M+HCOO]- 325.09473 175.8
[M+CH3COO]- 339.11038 190.8
[M+Na-2H]- 301.07120 169.2
[M]+ 280.09598 160.3
[M]- 280.09708 160.3
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.