CID 491078

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

Structural Information

Molecular Formula
C33H35NO2
SMILES
CCCC1C2=CC(=C(C=C2CCN1CC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C33H35NO2/c1-2-12-31-30-22-33(36-25-28-17-10-5-11-18-28)32(35-24-27-15-8-4-9-16-27)21-29(30)19-20-34(31)23-26-13-6-3-7-14-26/h3-11,13-18,21-22,31H,2,12,19-20,23-25H2,1H3
InChIKey
LEBUDHVVUMKTCO-UHFFFAOYSA-N
Compound name
2-benzyl-6,7-bis(phenylmethoxy)-1-propyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

477.26678 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.27406 224.3
[M+Na]+ 500.25600 227.1
[M-H]- 476.25950 233.8
[M+NH4]+ 495.30060 229.8
[M+K]+ 516.22994 218.8
[M+H-H2O]+ 460.26404 209.5
[M+HCOO]- 522.26498 239.5
[M+CH3COO]- 536.28063 229.9
[M+Na-2H]- 498.24145 224.2
[M]+ 477.26623 223.6
[M]- 477.26733 223.6
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.