CID 3068650

83658-45-1

Structural Information

Molecular Formula
C20H24N2
SMILES
CC1=CC=C(C=C1)C2=NC(CC3=CC=CC=C32)CCN(C)C
InChI
InChI=1S/C20H24N2/c1-15-8-10-16(11-9-15)20-19-7-5-4-6-17(19)14-18(21-20)12-13-22(2)3/h4-11,18H,12-14H2,1-3H3
InChIKey
PVPHAVWSUDOUQL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[1-(4-methylphenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.19394 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.201216 172.1
[M+Na]+ 315.183158 178.5
[M-H]- 291.186664 179.0
[M+NH4]+ 310.227763 187.6
[M+K]+ 331.157098 173.7
[M+H-H2O]+ 275.191200 162.4
[M+HCOO]- 337.192141 192.8
[M+CH3COO]- 351.207791 183.0
[M+Na-2H]- 313.168606 176.5
[M]+ 292.19339142 172.6
[M]- 292.19448858 172.6
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.