CID 12164797

2-benzylimidazo[1,5-a]quinolinium hexafluorophosphate

Structural Information

Molecular Formula
C18H15N2
SMILES
C1=CC=C(C=C1)C[N+]2=CN3C(=C2)C=CC4=CC=CC=C43
InChI
InChI=1S/C18H15N2/c1-2-6-15(7-3-1)12-19-13-17-11-10-16-8-4-5-9-18(16)20(17)14-19/h1-11,13-14H,12H2/q+1
InChIKey
BGOLGQDGFQTAEX-UHFFFAOYSA-N
Compound name
2-benzylimidazo[1,5-a]quinolin-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

259.12354 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13082 162.1
[M+Na]+ 282.11276 172.2
[M-H]- 258.11626 168.7
[M+NH4]+ 277.15736 179.5
[M+K]+ 298.08670 160.0
[M+H-H2O]+ 242.12080 155.3
[M+HCOO]- 304.12174 183.7
[M+CH3COO]- 318.13739 174.3
[M+Na-2H]- 280.09821 172.4
[M]+ 259.12299 162.7
[M]- 259.12409 162.7
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

patents stripe