PubChemLite - Lasofoxifene (C28H31NO2)

Structural Information

Molecular Formula

SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](CCC4=C3C=CC(=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1

InChIKey

GXESHMAMLJKROZ-IAPPQJPRSA-N

Compound name

(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	414.24275	206.6
[M+Na]+	436.22469	221.6
[M+NH4]+	431.26929	215.7
[M+K]+	452.19863	212.6
[M-H]-	412.22819	215.3
[M+Na-2H]-	434.21014	215.6
[M]+	413.23492	211.4
[M]-	413.23602	211.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

414.24275

206.6

[M+Na]+

436.22469

221.6

[M+NH4]+

431.26929

215.7

[M+K]+

452.19863

212.6

[M-H]-

412.22819

215.3

[M+Na-2H]-

434.21014

215.6

[M]+

413.23492

211.4

[M]-

413.23602

211.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Lasofoxifene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe