CID 3033654

Panomifene

Structural Information

Molecular Formula
C25H24F3NO2
SMILES
C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\C(F)(F)F)/C3=CC=C(C=C3)OCCNCCO
InChI
InChI=1S/C25H24F3NO2/c26-25(27,28)24(21-9-5-2-6-10-21)23(19-7-3-1-4-8-19)20-11-13-22(14-12-20)31-18-16-29-15-17-30/h1-14,29-30H,15-18H2/b24-23+
InChIKey
MHXVDXXARZCVRK-WCWDXBQESA-N
Compound name
2-[2-[4-[(E)-3,3,3-trifluoro-1,2-diphenylprop-1-enyl]phenoxy]ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

9771
Patents

427.1759 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.18318 202.5
[M+Na]+ 450.16512 205.3
[M-H]- 426.16862 205.4
[M+NH4]+ 445.20972 210.0
[M+K]+ 466.13906 198.2
[M+H-H2O]+ 410.17316 189.8
[M+HCOO]- 472.17410 217.5
[M+CH3COO]- 486.18975 226.3
[M+Na-2H]- 448.15057 203.0
[M]+ 427.17535 197.4
[M]- 427.17645 197.4
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