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 147.2
[M+Na]+ 243.10185 167.5
[M+NH4]+ 238.14645 159.3
[M+K]+ 259.07579 157.9
[M-H]- 219.10535 155.6
[M+Na-2H]- 241.08730 160.3
[M]+ 220.11208 153.3
[M]- 220.11318 153.3
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.