PubChemLite - Chembl435637 (C23H17F3N4O)

Structural Information

Molecular Formula

SMILES

CNC(=O)/C=C(\C1=CC=CC=C1)/C2=CN3C(=NC(=C3C4=C(C(=C(C=C4)F)F)F)N)C=C2

InChI

InChI=1S/C23H17F3N4O/c1-28-19(31)11-16(13-5-3-2-4-6-13)14-7-10-18-29-23(27)22(30(18)12-14)15-8-9-17(24)21(26)20(15)25/h2-12H,27H2,1H3,(H,28,31)/b16-11+

InChIKey

PUFFHZMYSIAGEX-LFIBNONCSA-N

Compound name

(E)-3-[2-amino-3-(2,3,4-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methyl-3-phenylprop-2-enamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	423.14272	200.2
[M+Na]+	445.12466	210.2
[M-H]-	421.12816	205.4
[M+NH4]+	440.16926	209.7
[M+K]+	461.09860	201.3
[M+H-H2O]+	405.13270	187.2
[M+HCOO]-	467.13364	218.7
[M+CH3COO]-	481.14929	208.8
[M+Na-2H]-	443.11011	198.9
[M]+	422.13489	197.7
[M]-	422.13599	197.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

423.14272

200.2

[M+Na]+

445.12466

210.2

[M-H]-

421.12816

205.4

[M+NH4]+

440.16926

209.7

[M+K]+

461.09860

201.3

[M+H-H2O]+

405.13270

187.2

[M+HCOO]-

467.13364

218.7

[M+CH3COO]-

481.14929

208.8

[M+Na-2H]-

443.11011

198.9

[M]+

422.13489

197.7

[M]-

422.13599

197.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Chembl435637

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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