CID 32390

2-methyl-5-phenylisoquinolinium iodide

Structural Information

Molecular Formula
C16H14N
SMILES
C[N+]1=CC2=C(C=C1)C(=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H14N/c1-17-11-10-16-14(12-17)8-5-9-15(16)13-6-3-2-4-7-13/h2-12H,1H3/q+1
InChIKey
BEYUSYFEYBDGDQ-UHFFFAOYSA-N
Compound name
2-methyl-5-phenylisoquinolin-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.11263 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11991 151.6
[M+Na]+ 243.10185 160.4
[M-H]- 219.10535 158.3
[M+NH4]+ 238.14645 169.3
[M+K]+ 259.07579 149.7
[M+H-H2O]+ 203.10989 145.9
[M+HCOO]- 265.11083 173.3
[M+CH3COO]- 279.12648 184.3
[M+Na-2H]- 241.08730 162.2
[M]+ 220.11208 150.1
[M]- 220.11318 150.1
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.