CID 3068618

83658-21-3

Structural Information

Molecular Formula
C18H20N2
SMILES
CNCCC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C18H20N2/c1-19-12-11-16-13-15-9-5-6-10-17(15)18(20-16)14-7-3-2-4-8-14/h2-10,16,19H,11-13H2,1H3
InChIKey
TWDAUOYNEIAKBF-UHFFFAOYSA-N
Compound name
N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

264.16266 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16994 163.8
[M+Na]+ 287.15188 179.4
[M+NH4]+ 282.19648 173.8
[M+K]+ 303.12582 169.2
[M-H]- 263.15538 170.3
[M+Na-2H]- 285.13733 173.8
[M]+ 264.16211 168.1
[M]- 264.16321 168.1
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

patents stripe