CID 5284643

4'-hydroxytamoxifen

Structural Information

Molecular Formula
C26H29NO2
SMILES
CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=C(C=C3)O
InChI
InChI=1S/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
InChIKey
DODQJNMQWMSYGS-QPLCGJKRSA-N
Compound name
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1245
References

30531
Patents

387.21982 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.22710 199.2
[M+Na]+ 410.20904 213.1
[M+NH4]+ 405.25364 206.7
[M+K]+ 426.18298 204.1
[M-H]- 386.21254 206.3
[M+Na-2H]- 408.19449 209.0
[M]+ 387.21927 203.3
[M]- 387.22037 203.3
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