CID 146484310

Androgen receptor-in-2

Structural Information

Molecular Formula
C24H24Cl2N4O4S
SMILES
CC(C)(C1=CC=C(C=C1)OCC2=NC(=NC=C2)NS(=O)(=O)C)C3=CC(=C(C(=C3)Cl)OCCCl)C#N
InChI
InChI=1S/C24H24Cl2N4O4S/c1-24(2,18-12-16(14-27)22(21(26)13-18)33-11-9-25)17-4-6-20(7-5-17)34-15-19-8-10-28-23(29-19)30-35(3,31)32/h4-8,10,12-13H,9,11,15H2,1-3H3,(H,28,29,30)
InChIKey
GVCZSODXLFBYSS-UHFFFAOYSA-N
Compound name
N-[4-[[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

70
Patents

534.08954 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.09682 219.7
[M+Na]+ 557.07876 233.0
[M+NH4]+ 552.12336 221.4
[M+K]+ 573.05270 221.0
[M-H]- 533.08226 216.0
[M+Na-2H]- 555.06421 224.4
[M]+ 534.08899 220.8
[M]- 534.09009 220.8
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

patents stripe