CID 491077

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

Structural Information

Molecular Formula
C31H31NO2
SMILES
CC1C2=CC(=C(C=C2CCN1CC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C31H31NO2/c1-24-29-20-31(34-23-27-15-9-4-10-16-27)30(33-22-26-13-7-3-8-14-26)19-28(29)17-18-32(24)21-25-11-5-2-6-12-25/h2-16,19-20,24H,17-18,21-23H2,1H3
InChIKey
BDBMUDRCYNRHNC-UHFFFAOYSA-N
Compound name
2-benzyl-1-methyl-6,7-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

449.23547 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.24275 215.7
[M+Na]+ 472.22469 219.4
[M-H]- 448.22819 225.6
[M+NH4]+ 467.26929 222.4
[M+K]+ 488.19863 211.5
[M+H-H2O]+ 432.23273 201.4
[M+HCOO]- 494.23367 231.6
[M+CH3COO]- 508.24932 222.2
[M+Na-2H]- 470.21014 216.7
[M]+ 449.23492 214.5
[M]- 449.23602 214.5
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.