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]+ 483.264236 221.6
[M+Na]+ 505.246178 225.2
[M-H]- 481.249684 230.3
[M+NH4]+ 500.290783 222.7
[M+K]+ 521.220118 218.7
[M+H-H2O]+ 465.254220 208.4
[M+HCOO]- 527.255161 230.8
[M+CH3COO]- 541.270811 225.7
[M+Na-2H]- 503.231626 220.2
[M]+ 482.25641142 217.5
[M]- 482.25750858 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

literature stripe

Patent stripe

No patent data available for this compound.