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

literature stripe

Patent stripe

patents stripe