CID 135351887

Palazestrant

Structural Information

Molecular Formula
C28H36FN3O
SMILES
CCCN1CC(C1)OC2=CC=C(C=C2)[C@@H]3C4=C(C[C@H](N3CC(C)(C)F)C)C5=CC=CC=C5N4
InChI
InChI=1S/C28H36FN3O/c1-5-14-31-16-22(17-31)33-21-12-10-20(11-13-21)27-26-24(23-8-6-7-9-25(23)30-26)15-19(2)32(27)18-28(3,4)29/h6-13,19,22,27,30H,5,14-18H2,1-4H3/t19-,27-/m1/s1
InChIKey
LBSFUBLFDCAEKV-XHCCPWGMSA-N
Compound name
(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1-[4-(1-propylazetidin-3-yl)oxyphenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

63
Patents

449.28424 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.29152 215.6
[M+Na]+ 472.27346 224.3
[M+NH4]+ 467.31806 218.2
[M+K]+ 488.24740 219.0
[M-H]- 448.27696 215.9
[M+Na-2H]- 470.25891 217.2
[M]+ 449.28369 215.9
[M]- 449.28479 215.9
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

patents stripe