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

476
Patents

357.20926 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.216536 190.7
[M+Na]+ 380.198478 193.4
[M-H]- 356.201984 198.8
[M+NH4]+ 375.243083 201.9
[M+K]+ 396.172418 187.2
[M+H-H2O]+ 340.206520 180.3
[M+HCOO]- 402.207461 211.8
[M+CH3COO]- 416.223111 219.0
[M+Na-2H]- 378.183926 192.4
[M]+ 357.20871142 189.7
[M]- 357.20980858 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

literature stripe

Patent stripe

patents stripe