CID 3024637

1,2,3,4-tetrahydro-6-methoxy-2-phenyl-1-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)isoquinoline

Structural Information

Molecular Formula
C28H32N2O2
SMILES
COC1=CC2=C(C=C1)C(N(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5
InChI
InChI=1S/C28H32N2O2/c1-31-26-13-14-27-23(21-26)15-18-30(24-7-3-2-4-8-24)28(27)22-9-11-25(12-10-22)32-20-19-29-16-5-6-17-29/h2-4,7-14,21,28H,5-6,15-20H2,1H3
InChIKey
AVXOIXIAWBSTIZ-UHFFFAOYSA-N
Compound name
6-methoxy-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.24637 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.25365 210.4
[M+Na]+ 451.23559 225.6
[M+NH4]+ 446.28019 218.9
[M+K]+ 467.20953 216.6
[M-H]- 427.23909 218.7
[M+Na-2H]- 449.22104 219.5
[M]+ 428.24582 215.1
[M]- 428.24692 215.1
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.