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]+ 222.11516 151.5
[M+Na]+ 244.09710 159.8
[M-H]- 220.10060 156.4
[M+NH4]+ 239.14170 167.4
[M+K]+ 260.07104 148.9
[M+H-H2O]+ 204.10514 144.7
[M+HCOO]- 266.10608 172.2
[M+CH3COO]- 280.12173 183.0
[M+Na-2H]- 242.08255 163.5
[M]+ 221.10733 149.7
[M]- 221.10843 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.