CID 121248172

Azd9567

Structural Information

Molecular Formula
C27H28F2N4O3
SMILES
CC(C)[C@@H]([C@@H](C1=CC=CC=C1)OC2=CC3=C(C=C2)N(N=C3)C4=CN(C(=O)C=C4)C)NC(=O)C(C)(F)F
InChI
InChI=1S/C27H28F2N4O3/c1-17(2)24(31-26(35)27(3,28)29)25(18-8-6-5-7-9-18)36-21-11-12-22-19(14-21)15-30-33(22)20-10-13-23(34)32(4)16-20/h5-17,24-25H,1-4H3,(H,31,35)/t24-,25+/m0/s1
InChIKey
ZQFNDBISEYQVRR-LOSJGSFVSA-N
Compound name
2,2-difluoro-N-[(1R,2S)-3-methyl-1-[1-(1-methyl-6-oxopyridin-3-yl)indazol-5-yl]oxy-1-phenylbutan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

199
Patents

494.21295 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.22023 214.8
[M+Na]+ 517.20217 225.3
[M+NH4]+ 512.24677 217.5
[M+K]+ 533.17611 222.3
[M-H]- 493.20567 215.2
[M+Na-2H]- 515.18762 220.4
[M]+ 494.21240 216.1
[M]- 494.21350 216.1
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