CID 6479698

Chembl157010

Structural Information

Molecular Formula
C17H16N4O
SMILES
CNC(=O)/C=C(\C1=CC=CC=C1)/C2=CN3C=C(N=C3C=C2)N
InChI
InChI=1S/C17H16N4O/c1-19-17(22)9-14(12-5-3-2-4-6-12)13-7-8-16-20-15(18)11-21(16)10-13/h2-11H,18H2,1H3,(H,19,22)/b14-9+
InChIKey
VGPARLAFMXWGDQ-NTEUORMPSA-N
Compound name
(E)-3-(2-aminoimidazo[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

292.13242 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13970 167.8
[M+Na]+ 315.12164 175.5
[M-H]- 291.12514 173.0
[M+NH4]+ 310.16624 182.3
[M+K]+ 331.09558 169.9
[M+H-H2O]+ 275.12968 158.6
[M+HCOO]- 337.13062 190.6
[M+CH3COO]- 351.14627 178.8
[M+Na-2H]- 313.10709 172.1
[M]+ 292.13187 167.1
[M]- 292.13297 167.1
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