CID 44245734

Desethyl tamoxifen, (e)-

Structural Information

Molecular Formula
C24H25NO
SMILES
CN(C)CCOC1=CC=C(C=C1)/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3
InChI
InChI=1S/C24H25NO/c1-25(2)17-18-26-23-15-13-22(14-16-23)24(21-11-7-4-8-12-21)19-20-9-5-3-6-10-20/h3-16,19H,17-18H2,1-2H3/b24-19+
InChIKey
PXOWMFOUQCRAAG-LYBHJNIJSA-N
Compound name
2-[4-[(E)-1,2-diphenylethenyl]phenoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

97
Patents

343.1936 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.20088 186.5
[M+Na]+ 366.18282 190.1
[M-H]- 342.18632 196.2
[M+NH4]+ 361.22742 199.0
[M+K]+ 382.15676 185.0
[M+H-H2O]+ 326.19086 175.9
[M+HCOO]- 388.19180 209.5
[M+CH3COO]- 402.20745 218.5
[M+Na-2H]- 364.16827 189.1
[M]+ 343.19305 187.0
[M]- 343.19415 187.0
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