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]+ 237.13863 152.6
[M+Na]+ 259.12057 158.9
[M-H]- 235.12407 158.1
[M+NH4]+ 254.16517 169.3
[M+K]+ 275.09451 153.6
[M+H-H2O]+ 219.12861 143.6
[M+HCOO]- 281.12955 174.4
[M+CH3COO]- 295.14520 164.2
[M+Na-2H]- 257.10602 161.6
[M]+ 236.13080 149.7
[M]- 236.13190 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.