PubChemLite - Schembl2843849 (C24H25FN4O3)

Structural Information

Molecular Formula

SMILES

CC1=NN(C(=C1)NC2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)OC(C)C)C

InChI

InChI=1S/C24H25FN4O3/c1-13(2)31-20-11-17-19(12-18(20)27-21-10-14(3)28-29(21)5)32-23(22(17)24(30)26-4)15-6-8-16(25)9-7-15/h6-13,27H,1-5H3,(H,26,30)

InChIKey

FEVSVCGZFDJFOV-UHFFFAOYSA-N

Compound name

6-[(2,5-dimethylpyrazol-3-yl)amino]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide

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]+	437.19835	207.2
[M+Na]+	459.18029	216.3
[M-H]-	435.18379	216.9
[M+NH4]+	454.22489	217.2
[M+K]+	475.15423	212.2
[M+H-H2O]+	419.18833	197.2
[M+HCOO]-	481.18927	228.2
[M+CH3COO]-	495.20492	238.1
[M+Na-2H]-	457.16574	204.6
[M]+	436.19052	213.4
[M]-	436.19162	213.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.19835

207.2

[M+Na]+

459.18029

216.3

[M-H]-

435.18379

216.9

[M+NH4]+

454.22489

217.2

[M+K]+

475.15423

212.2

[M+H-H2O]+

419.18833

197.2

[M+HCOO]-

481.18927

228.2

[M+CH3COO]-

495.20492

238.1

[M+Na-2H]-

457.16574

204.6

[M]+

436.19052

213.4

[M]-

436.19162

213.4

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

Schembl2843849

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe