CID 6479700

Chembl158244

Structural Information

Molecular Formula
C23H18F2N4O
SMILES
CNC(=O)/C=C(\C1=CC=CC=C1)/C2=CN3C(=NC(=C3C4=C(C=CC(=C4)F)F)N)C=C2
InChI
InChI=1S/C23H18F2N4O/c1-27-21(30)12-17(14-5-3-2-4-6-14)15-7-10-20-28-23(26)22(29(20)13-15)18-11-16(24)8-9-19(18)25/h2-13H,26H2,1H3,(H,27,30)/b17-12+
InChIKey
CXQVBVXEHIFJIG-SFQUDFHCSA-N
Compound name
(E)-3-[2-amino-3-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methyl-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

404.14487 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15215 196.4
[M+Na]+ 427.13409 205.4
[M-H]- 403.13759 202.6
[M+NH4]+ 422.17869 206.4
[M+K]+ 443.10803 197.0
[M+H-H2O]+ 387.14213 184.1
[M+HCOO]- 449.14307 216.1
[M+CH3COO]- 463.15872 205.3
[M+Na-2H]- 425.11954 196.5
[M]+ 404.14432 194.5
[M]- 404.14542 194.5
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

No patent data available for this compound.