CID 3068603

83658-09-7

Structural Information

Molecular Formula
C18H20N2
SMILES
CN(C)CC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C18H20N2/c1-20(2)13-16-12-15-10-6-7-11-17(15)18(19-16)14-8-4-3-5-9-14/h3-11,16H,12-13H2,1-2H3
InChIKey
WTFVMCVOOBSICY-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.16266 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.169936 162.6
[M+Na]+ 287.151878 168.9
[M-H]- 263.155384 169.5
[M+NH4]+ 282.196483 178.9
[M+K]+ 303.125818 164.5
[M+H-H2O]+ 247.159920 153.1
[M+HCOO]- 309.160861 184.1
[M+CH3COO]- 323.176511 174.1
[M+Na-2H]- 285.137326 168.9
[M]+ 264.16211142 162.0
[M]- 264.16320858 162.0
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.