CID 3078149

3(2h)-isoquinolinimine, 1,4-dihydro-n-(phenylmethyl)-, hydriodide

Structural Information

Molecular Formula
C16H16N2
SMILES
C1C2=CC=CC=C2CN=C1NCC3=CC=CC=C3
InChI
InChI=1S/C16H16N2/c1-2-6-13(7-3-1)11-17-16-10-14-8-4-5-9-15(14)12-18-16/h1-9H,10-12H2,(H,17,18)
InChIKey
HQEZXNRAFVUGPJ-UHFFFAOYSA-N
Compound name
N-benzyl-1,4-dihydroisoquinolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.138626 152.6
[M+Na]+ 259.120568 158.9
[M-H]- 235.124074 158.1
[M+NH4]+ 254.165173 169.3
[M+K]+ 275.094508 153.6
[M+H-H2O]+ 219.128610 143.6
[M+HCOO]- 281.129551 174.4
[M+CH3COO]- 295.145201 164.2
[M+Na-2H]- 257.106016 161.6
[M]+ 236.13080142 149.7
[M]- 236.13189858 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.