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 162.1
[M+Na]+ 287.15188 168.4
[M-H]- 263.15538 167.6
[M+NH4]+ 282.19648 177.8
[M+K]+ 303.12582 162.6
[M+H-H2O]+ 247.15992 152.9
[M+HCOO]- 309.16086 183.1
[M+CH3COO]- 323.17651 173.1
[M+Na-2H]- 285.13733 169.2
[M]+ 264.16211 160.3
[M]- 264.16321 160.3
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

patents stripe