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

41
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.