CID 449459

4-hydroxytamoxifen

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

1455
References

24173
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 198.6
[M+Na]+ 410.20904 201.2
[M-H]- 386.21254 207.0
[M+NH4]+ 405.25364 208.7
[M+K]+ 426.18298 196.3
[M+H-H2O]+ 370.21708 188.0
[M+HCOO]- 432.21802 218.5
[M+CH3COO]- 446.23367 226.0
[M+Na-2H]- 408.19449 197.9
[M]+ 387.21927 199.1
[M]- 387.22037 199.1
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