CID 216416

Lasofoxifene

Structural Information

Molecular Formula
C28H31NO2
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

compound 2d structure
5
Annotation Hits

157
References

15774
Patents

413.23547 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.24275 203.2
[M+Na]+ 436.22469 206.1
[M-H]- 412.22819 212.3
[M+NH4]+ 431.26929 213.0
[M+K]+ 452.19863 198.4
[M+H-H2O]+ 396.23273 191.5
[M+HCOO]- 458.23367 217.3
[M+CH3COO]- 472.24932 210.1
[M+Na-2H]- 434.21014 200.8
[M]+ 413.23492 198.0
[M]- 413.23602 198.0
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.