CID 6378383

N-desmethyltamoxifen

Structural Information

Molecular Formula
C25H27NO
SMILES
CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCNC)/C3=CC=CC=C3
InChI
InChI=1S/C25H27NO/c1-3-24(20-10-6-4-7-11-20)25(21-12-8-5-9-13-21)22-14-16-23(17-15-22)27-19-18-26-2/h4-17,26H,3,18-19H2,1-2H3/b25-24-
InChIKey
NYDCDZSEEAUOHN-IZHYLOQSSA-N
Compound name
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

111
References

472
Patents

357.20926 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21654 190.7
[M+Na]+ 380.19848 193.4
[M-H]- 356.20198 198.8
[M+NH4]+ 375.24308 201.9
[M+K]+ 396.17242 187.2
[M+H-H2O]+ 340.20652 180.3
[M+HCOO]- 402.20746 211.8
[M+CH3COO]- 416.22311 219.0
[M+Na-2H]- 378.18393 192.4
[M]+ 357.20871 189.7
[M]- 357.20981 189.7
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.