CID 134453496

Camizestrant

Structural Information

Molecular Formula
C24H28F4N6
SMILES
C[C@@H]1CC2=C(C=CC3=C2C=NN3)[C@H](N1CC(F)(F)F)C4=NC=C(C=C4)NC5CN(C5)CCCF
InChI
InChI=1S/C24H28F4N6/c1-15-9-19-18(4-6-21-20(19)11-30-32-21)23(34(15)14-24(26,27)28)22-5-3-16(10-29-22)31-17-12-33(13-17)8-2-7-25/h3-6,10-11,15,17,23,31H,2,7-9,12-14H2,1H3,(H,30,32)/t15-,23+/m1/s1
InChIKey
WDHOIABIERMLGY-CMJOXMDJSA-N
Compound name
N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

324
Patents

476.23117 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.23845 210.7
[M+Na]+ 499.22039 215.2
[M+NH4]+ 494.26499 209.9
[M+K]+ 515.19433 211.8
[M-H]- 475.22389 206.0
[M+Na-2H]- 497.20584 209.9
[M]+ 476.23062 208.6
[M]- 476.23172 208.6
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