CID 45503

63937-68-8

Structural Information

Molecular Formula
C20H26N2
SMILES
CN(C)CCCC1(C2=CC=CC=C2CCN1)C3=CC=CC=C3
InChI
InChI=1S/C20H26N2/c1-22(2)16-8-14-20(18-10-4-3-5-11-18)19-12-7-6-9-17(19)13-15-21-20/h3-7,9-12,21H,8,13-16H2,1-2H3
InChIKey
QLKCCGLEUFIVEC-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(1-phenyl-3,4-dihydro-2H-isoquinolin-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.2096 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.216876 173.2
[M+Na]+ 317.198818 177.3
[M-H]- 293.202324 177.9
[M+NH4]+ 312.243423 189.2
[M+K]+ 333.172758 172.0
[M+H-H2O]+ 277.206860 163.6
[M+HCOO]- 339.207801 191.1
[M+CH3COO]- 353.223451 182.6
[M+Na-2H]- 315.184266 178.5
[M]+ 294.20905142 169.8
[M]- 294.21014858 169.8
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.