CID 495614

Nsc662265

Structural Information

Molecular Formula
C32H33NO2
SMILES
CC1CC2=C(C(N1CC3=CC=CC=C3)C)C(=CC(=C2)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C32H33NO2/c1-24-18-29-19-30(34-22-27-14-8-4-9-15-27)20-31(35-23-28-16-10-5-11-17-28)32(29)25(2)33(24)21-26-12-6-3-7-13-26/h3-17,19-20,24-25H,18,21-23H2,1-2H3
InChIKey
QVOFLENDBBJIHW-UHFFFAOYSA-N
Compound name
2-benzyl-1,3-dimethyl-6,8-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.25113 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.25841 220.9
[M+Na]+ 486.24035 225.1
[M-H]- 462.24385 231.0
[M+NH4]+ 481.28495 227.3
[M+K]+ 502.21429 217.1
[M+H-H2O]+ 446.24839 206.5
[M+HCOO]- 508.24933 236.4
[M+CH3COO]- 522.26498 227.3
[M+Na-2H]- 484.22580 220.6
[M]+ 463.25058 220.5
[M]- 463.25168 220.5
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.