CID 3033767

Droloxifene

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

122
References

55969
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