CID 71613550

Mifanertinib

Structural Information

Molecular Formula
C21H19ClF3N5O2
SMILES
CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC(F)F
InChI
InChI=1S/C21H19ClF3N5O2/c1-30(2)7-3-4-19(31)29-17-9-13-16(10-18(17)32-21(24)25)26-11-27-20(13)28-12-5-6-15(23)14(22)8-12/h3-6,8-11,21H,7H2,1-2H3,(H,29,31)(H,26,27,28)/b4-3+
InChIKey
QPACRWFSFWQNOZ-ONEGZZNKSA-N
Compound name
(E)-N-[4-(3-chloro-4-fluoroanilino)-7-(difluoromethoxy)quinazolin-6-yl]-4-(dimethylamino)but-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

465.11795 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.12523 196.9
[M+Na]+ 488.10717 206.1
[M+NH4]+ 483.15177 200.0
[M+K]+ 504.08111 200.3
[M-H]- 464.11067 196.6
[M+Na-2H]- 486.09262 201.1
[M]+ 465.11740 197.9
[M]- 465.11850 197.9
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