CID 3036505

Ospemifene

Structural Information

Molecular Formula
C24H23ClO2
SMILES
C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\C3=CC=C(C=C3)OCCO)/CCCl
InChI
InChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-
InChIKey
LUMKNAVTFCDUIE-VHXPQNKSSA-N
Compound name
2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

159
References

2228
Patents

378.13867 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.145946 192.1
[M+Na]+ 401.127888 196.5
[M-H]- 377.131394 199.0
[M+NH4]+ 396.172493 203.0
[M+K]+ 417.101828 188.7
[M+H-H2O]+ 361.135930 182.9
[M+HCOO]- 423.136871 206.8
[M+CH3COO]- 437.152521 214.2
[M+Na-2H]- 399.113336 193.0
[M]+ 378.13812142 193.6
[M]- 378.13921858 193.6
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