CID 32410

1,2-dimethyl-7-phenylisoquinolinium iodide

Structural Information

Molecular Formula
C17H16N
SMILES
CC1=CC2=C(C=C(C=C2)C3=CC=CC=C3)C=[N+]1C
InChI
InChI=1S/C17H16N/c1-13-10-15-8-9-16(11-17(15)12-18(13)2)14-6-4-3-5-7-14/h3-12H,1-2H3/q+1
InChIKey
BUBFTADPMNALJL-UHFFFAOYSA-N
Compound name
2,3-dimethyl-7-phenylisoquinolin-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.12828 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13556 156.2
[M+Na]+ 257.11750 165.5
[M-H]- 233.12100 163.1
[M+NH4]+ 252.16210 173.7
[M+K]+ 273.09144 154.6
[M+H-H2O]+ 217.12554 150.4
[M+HCOO]- 279.12648 177.6
[M+CH3COO]- 293.14213 188.4
[M+Na-2H]- 255.10295 165.6
[M]+ 234.12773 155.5
[M]- 234.12883 155.5
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.