CID 3051588

7-benzylpyrido(1,2-a)piperazin-1-ium chloride hydrochloride

Structural Information

Molecular Formula
C15H13N2
SMILES
C1=CC=C(C=C1)CC2=CC3=[N+](C=C2)C=CN=C3
InChI
InChI=1S/C15H13N2/c1-2-4-13(5-3-1)10-14-6-8-17-9-7-16-12-15(17)11-14/h1-9,11-12H,10H2/q+1
InChIKey
ZSPSPLFSVTUOBT-UHFFFAOYSA-N
Compound name
8-benzylpyrido[1,2-a]pyrazin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.10788 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.115156 151.5
[M+Na]+ 244.097098 159.8
[M-H]- 220.100604 156.4
[M+NH4]+ 239.141703 167.4
[M+K]+ 260.071038 148.9
[M+H-H2O]+ 204.105140 144.7
[M+HCOO]- 266.106081 172.2
[M+CH3COO]- 280.121731 183.0
[M+Na-2H]- 242.082546 163.5
[M]+ 221.10733142 149.7
[M]- 221.10842858 149.7
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.