CID 491079

6,7-bis(phenylmethoxy)-1-(methylethyl)-2-benzyl-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C33H35NO2
SMILES
CC(C)C1C2=CC(=C(C=C2CCN1CC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C33H35NO2/c1-25(2)33-30-21-32(36-24-28-16-10-5-11-17-28)31(35-23-27-14-8-4-9-15-27)20-29(30)18-19-34(33)22-26-12-6-3-7-13-26/h3-17,20-21,25,33H,18-19,22-24H2,1-2H3
InChIKey
SJSBRPLINMAGID-UHFFFAOYSA-N
Compound name
2-benzyl-6,7-bis(phenylmethoxy)-1-propan-2-yl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

477.26678 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.27406 224.0
[M+Na]+ 500.25600 226.4
[M-H]- 476.25950 233.6
[M+NH4]+ 495.30060 229.5
[M+K]+ 516.22994 218.8
[M+H-H2O]+ 460.26404 209.6
[M+HCOO]- 522.26498 238.2
[M+CH3COO]- 536.28063 229.6
[M+Na-2H]- 498.24145 223.0
[M]+ 477.26623 222.9
[M]- 477.26733 222.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.