CID 3033895

Tamoxifen n-oxide

Structural Information

Molecular Formula
C26H29NO2
SMILES
CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCC[N+](C)(C)[O-])/C3=CC=CC=C3
InChI
InChI=1S/C26H29NO2/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)29-20-19-27(2,3)28/h5-18H,4,19-20H2,1-3H3/b26-25-
InChIKey
YAASNACECBQAFW-QPLCGJKRSA-N
Compound name
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

66
Patents

387.21982 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.22710 197.0
[M+Na]+ 410.20904 198.6
[M-H]- 386.21254 204.9
[M+NH4]+ 405.25364 206.7
[M+K]+ 426.18298 188.5
[M+H-H2O]+ 370.21708 191.3
[M+HCOO]- 432.21802 216.5
[M+CH3COO]- 446.23367 217.0
[M+Na-2H]- 408.19449 200.8
[M]+ 387.21927 194.8
[M]- 387.22037 194.8
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.