CID 117909640

Olafertinib

Structural Information

Molecular Formula
C29H28F2N6O2
SMILES
C=CC(=O)NC1=CC=CC(=C1)C2=CC=CC3=CN=C(N=C32)NC4=C(C(=C(C=C4)N5CCN(CC5)CCO)F)F
InChI
InChI=1S/C29H28F2N6O2/c1-2-25(39)33-21-7-3-5-19(17-21)22-8-4-6-20-18-32-29(35-28(20)22)34-23-9-10-24(27(31)26(23)30)37-13-11-36(12-14-37)15-16-38/h2-10,17-18,38H,1,11-16H2,(H,33,39)(H,32,34,35)
InChIKey
IDRGFNPZDVBSSE-UHFFFAOYSA-N
Compound name
N-[3-[2-[2,3-difluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]quinazolin-8-yl]phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36736
Patents

530.2242 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.23148 228.7
[M+Na]+ 553.21342 240.9
[M+NH4]+ 548.25802 231.6
[M+K]+ 569.18736 232.8
[M-H]- 529.21692 232.5
[M+Na-2H]- 551.19887 234.9
[M]+ 530.22365 231.1
[M]- 530.22475 231.1
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