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
1
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]+ 404.22203 198.5
[M+Na]+ 426.20397 199.1
[M-H]- 402.20747 205.1
[M+NH4]+ 421.24857 206.7
[M+K]+ 442.17791 189.6
[M+H-H2O]+ 386.21201 193.2
[M+HCOO]- 448.21295 215.8
[M+CH3COO]- 462.22860 217.0
[M+Na-2H]- 424.18942 201.2
[M]+ 403.21420 195.3
[M]- 403.21530 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.