CID 448915

2-phenyl-1-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-1,2,3,4-tetrahydro-isoquinolin-6-ol

Structural Information

Molecular Formula
C28H32N2O2
SMILES
C1CCN(CC1)CCOC2=CC=C(C=C2)[C@@H]3C4=C(CCN3C5=CC=CC=C5)C=C(C=C4)O
InChI
InChI=1S/C28H32N2O2/c31-25-11-14-27-23(21-25)15-18-30(24-7-3-1-4-8-24)28(27)22-9-12-26(13-10-22)32-20-19-29-16-5-2-6-17-29/h1,3-4,7-14,21,28,31H,2,5-6,15-20H2/t28-/m1/s1
InChIKey
FMWVCTJKLAVRPB-MUUNZHRXSA-N
Compound name
(1R)-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

428.24637 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.25365 208.0
[M+Na]+ 451.23559 209.7
[M-H]- 427.23909 214.8
[M+NH4]+ 446.28019 213.5
[M+K]+ 467.20953 201.8
[M+H-H2O]+ 411.24363 193.9
[M+HCOO]- 473.24457 218.2
[M+CH3COO]- 487.26022 213.1
[M+Na-2H]- 449.22104 207.7
[M]+ 428.24582 200.8
[M]- 428.24692 200.8
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

patents stripe