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: 50
Patents: 343.1936 Da
Monoisotopic Mass: 6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	344.200876	186.5
[M+Na]+	366.182818	190.1
[M-H]-	342.186324	196.2
[M+NH4]+	361.227423	199.0
[M+K]+	382.156758	185.0
[M+H-H2O]+	326.190860	175.9
[M+HCOO]-	388.191801	209.5
[M+CH3COO]-	402.207451	218.5
[M+Na-2H]-	364.168266	189.1
[M]+	343.19305142	187.0
[M]-	343.19414858	187.0

Literature stripe

literature stripe

Patent stripe

patents stripe