CID 3036580

Alpha-hydroxytamoxifen

Structural Information

Molecular Formula
C26H29NO2
SMILES
CC(/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3)O
InChI
InChI=1S/C26H29NO2/c1-20(28)25(21-10-6-4-7-11-21)26(22-12-8-5-9-13-22)23-14-16-24(17-15-23)29-19-18-27(2)3/h4-17,20,28H,18-19H2,1-3H3/b26-25-
InChIKey
BPHFBQJMFWCHGH-QPLCGJKRSA-N
Compound name
(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

27
References

45
Patents

387.21982 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.22710 198.4
[M+Na]+ 410.20904 199.8
[M-H]- 386.21254 206.4
[M+NH4]+ 405.25364 208.1
[M+K]+ 426.18298 195.4
[M+H-H2O]+ 370.21708 187.9
[M+HCOO]- 432.21802 217.3
[M+CH3COO]- 446.23367 225.7
[M+Na-2H]- 408.19449 197.3
[M]+ 387.21927 198.0
[M]- 387.22037 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

literature stripe

Patent stripe

patents stripe