CID 194701

Clomifene n-oxide hydrochloride

Structural Information

Molecular Formula
C26H28ClNO2
SMILES
CC[N+](CC)(CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3)[O-]
InChI
InChI=1S/C26H28ClNO2/c1-3-28(29,4-2)19-20-30-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3
InChIKey
PGHWCZITRQNIPM-UHFFFAOYSA-N
Compound name
2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.18085 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.18813 205.5
[M+Na]+ 444.17007 207.6
[M-H]- 420.17357 212.9
[M+NH4]+ 439.21467 214.6
[M+K]+ 460.14401 196.0
[M+H-H2O]+ 404.17811 200.3
[M+HCOO]- 466.17905 220.4
[M+CH3COO]- 480.19470 220.5
[M+Na-2H]- 442.15552 208.5
[M]+ 421.18030 205.9
[M]- 421.18140 205.9
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.