CID 72201074

Alpha-hydroxytamoxifen-n-oxide

Structural Information

Molecular Formula
C26H29NO3
SMILES
CC(/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCC[N+](C)(C)[O-])/C3=CC=CC=C3)O
InChI
InChI=1S/C26H29NO3/c1-20(28)25(21-10-6-4-7-11-21)26(22-12-8-5-9-13-22)23-14-16-24(17-15-23)30-19-18-27(2,3)29/h4-17,20,28H,18-19H2,1-3H3/b26-25-
InChIKey
UPGHFQMAOIISKB-QPLCGJKRSA-N
Compound name
2-[4-[(E)-3-hydroxy-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

403.21475 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.222026 198.5
[M+Na]+ 426.203968 199.1
[M-H]- 402.207474 205.1
[M+NH4]+ 421.248573 206.7
[M+K]+ 442.177908 189.6
[M+H-H2O]+ 386.212010 193.2
[M+HCOO]- 448.212951 215.8
[M+CH3COO]- 462.228601 217.0
[M+Na-2H]- 424.189416 201.2
[M]+ 403.21420142 195.3
[M]- 403.21529858 195.3
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

No patent data available for this compound.