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]+ 265.16994 162.6
[M+Na]+ 287.15188 168.9
[M-H]- 263.15538 169.5
[M+NH4]+ 282.19648 178.9
[M+K]+ 303.12582 164.5
[M+H-H2O]+ 247.15992 153.1
[M+HCOO]- 309.16086 184.1
[M+CH3COO]- 323.17651 174.1
[M+Na-2H]- 285.13733 168.9
[M]+ 264.16211 162.0
[M]- 264.16321 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.