CID 6479702

Chembl157207

Structural Information

Molecular Formula
C24H18F4N4O
SMILES
CNC(=O)/C=C(\C1=CC=CC=C1)/C2=CN3C(=NC(=C3C4=C(C=C(C=C4)F)C(F)(F)F)N)C=C2
InChI
InChI=1S/C24H18F4N4O/c1-30-21(33)12-18(14-5-3-2-4-6-14)15-7-10-20-31-23(29)22(32(20)13-15)17-9-8-16(25)11-19(17)24(26,27)28/h2-13H,29H2,1H3,(H,30,33)/b18-12+
InChIKey
JDYMZBVODYQDIW-LDADJPATSA-N
Compound name
(E)-3-[2-amino-3-[4-fluoro-2-(trifluoromethyl)phenyl]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

454.14166 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.14894 207.4
[M+Na]+ 477.13088 216.4
[M-H]- 453.13438 211.0
[M+NH4]+ 472.17548 215.3
[M+K]+ 493.10482 207.6
[M+H-H2O]+ 437.13892 193.7
[M+HCOO]- 499.13986 222.8
[M+CH3COO]- 513.15551 236.9
[M+Na-2H]- 475.11633 206.7
[M]+ 454.14111 203.1
[M]- 454.14221 203.1
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

No patent data available for this compound.