CID 68037237

Norendoxifen

Structural Information

Molecular Formula
C24H25NO2
SMILES
CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCCN)/C3=CC=CC=C3
InChI
InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23-
InChIKey
YCQBLTPGQSYLHD-VHXPQNKSSA-N
Compound name
4-[(Z)-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

50
Patents

359.18854 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19582 191.6
[M+Na]+ 382.17776 205.4
[M+NH4]+ 377.22236 199.0
[M+K]+ 398.15170 196.6
[M-H]- 358.18126 198.2
[M+Na-2H]- 380.16321 201.1
[M]+ 359.18799 195.5
[M]- 359.18909 195.5
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

patents stripe