CID 134391533

Zeteletinib

Structural Information

Molecular Formula
C25H23F3N4O4
SMILES
CC(C)(C1=NOC(=C1)NC(=O)CC2=CN=C(C=C2)C3=CN=C4C=C(C(=CC4=C3)OC)OC)C(F)(F)F
InChI
InChI=1S/C25H23F3N4O4/c1-24(2,25(26,27)28)21-11-23(36-32-21)31-22(33)7-14-5-6-17(29-12-14)16-8-15-9-19(34-3)20(35-4)10-18(15)30-13-16/h5-6,8-13H,7H2,1-4H3,(H,31,33)
InChIKey
KOLQINCWMXQEOF-UHFFFAOYSA-N
Compound name
2-[6-(6,7-dimethoxyquinolin-3-yl)pyridin-3-yl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

65
Patents

500.16714 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.17442 216.4
[M+Na]+ 523.15636 226.6
[M+NH4]+ 518.20096 218.2
[M+K]+ 539.13030 223.8
[M-H]- 499.15986 216.2
[M+Na-2H]- 521.14181 220.7
[M]+ 500.16659 217.6
[M]- 500.16769 217.6
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