CID 10090750

Endoxifen

Structural Information

Molecular Formula
C25H27NO2
SMILES
CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3
InChI
InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-
InChIKey
MHJBZVSGOZTKRH-IZHYLOQSSA-N
Compound name
4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

257
References

1135
Patents

373.2042 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.211476 193.8
[M+Na]+ 396.193418 196.8
[M-H]- 372.196924 201.0
[M+NH4]+ 391.238023 203.9
[M+K]+ 412.167358 190.7
[M+H-H2O]+ 356.201460 183.7
[M+HCOO]- 418.202401 213.7
[M+CH3COO]- 432.218051 219.9
[M+Na-2H]- 394.178866 194.5
[M]+ 373.20365142 192.8
[M]- 373.20474858 192.8
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