CID 165416446

[(1'r)-6'-hydroxy-1'-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1',4'-dihydro-2'h-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone

Structural Information

Molecular Formula
C31H34N2O3
SMILES
C1CCN(CC1)CCOC2=CC=C(C=C2)[C@@H]3C4=C(CC5(N3C(=O)C6=CC=CC=C6)CC5)C=C(C=C4)O
InChI
InChI=1S/C31H34N2O3/c34-26-11-14-28-25(21-26)22-31(15-16-31)33(30(35)24-7-3-1-4-8-24)29(28)23-9-12-27(13-10-23)36-20-19-32-17-5-2-6-18-32/h1,3-4,7-14,21,29,34H,2,5-6,15-20,22H2/t29-/m1/s1
InChIKey
BYQGDTXJSFJTRF-GDLZYMKVSA-N
Compound name
[(1R)-6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenyl]spiro[1,4-dihydroisoquinoline-3,1'-cyclopropane]-2-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.25696 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.26424 221.6
[M+Na]+ 505.24618 225.2
[M-H]- 481.24968 230.3
[M+NH4]+ 500.29078 222.7
[M+K]+ 521.22012 218.7
[M+H-H2O]+ 465.25422 208.4
[M+HCOO]- 527.25516 230.8
[M+CH3COO]- 541.27081 225.7
[M+Na-2H]- 503.23163 220.2
[M]+ 482.25641 217.5
[M]- 482.25751 217.5
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.