PubChemLite - Azd8186 (C24H25F2N3O4)

Structural Information

Molecular Formula

SMILES

C[C@H](C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F

InChI

InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1

InChIKey

LMJFJIDLEAWOQJ-CQSZACIVSA-N

Compound name

8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-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]+	458.18858	214.1
[M+Na]+	480.17052	219.6
[M-H]-	456.17402	222.8
[M+NH4]+	475.21512	219.0
[M+K]+	496.14446	217.8
[M+H-H2O]+	440.17856	200.6
[M+HCOO]-	502.17950	227.6
[M+CH3COO]-	516.19515	244.1
[M+Na-2H]-	478.15597	212.7
[M]+	457.18075	213.2
[M]-	457.18185	213.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

458.18858

214.1

[M+Na]+

480.17052

219.6

[M-H]-

456.17402

222.8

[M+NH4]+

475.21512

219.0

[M+K]+

496.14446

217.8

[M+H-H2O]+

440.17856

200.6

[M+HCOO]-

502.17950

227.6

[M+CH3COO]-

516.19515

244.1

[M+Na-2H]-

478.15597

212.7

[M]+

457.18075

213.2

[M]-

457.18185

213.2

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

Azd8186

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe