PubChemLite - Schembl2841627 (C25H24FN3O5)

Structural Information

Molecular Formula

SMILES

CC1=CC(=NO1)COC2=C(C=C3C(=C2)C(=C(O3)C4=CC=C(C=C4)F)C(=O)NC)N5CCOCC5

InChI

InChI=1S/C25H24FN3O5/c1-15-11-18(28-34-15)14-32-22-12-19-21(13-20(22)29-7-9-31-10-8-29)33-24(23(19)25(30)27-2)16-3-5-17(26)6-4-16/h3-6,11-13H,7-10,14H2,1-2H3,(H,27,30)

InChIKey

CEKYVUCBCNMGFY-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-6-morpholin-4-yl-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]+	466.17728	211.0
[M+Na]+	488.15922	218.5
[M-H]-	464.16272	223.7
[M+NH4]+	483.20382	216.3
[M+K]+	504.13316	216.8
[M+H-H2O]+	448.16726	200.8
[M+HCOO]-	510.16820	226.9
[M+CH3COO]-	524.18385	219.9
[M+Na-2H]-	486.14467	208.6
[M]+	465.16945	215.4
[M]-	465.17055	215.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

466.17728

211.0

[M+Na]+

488.15922

218.5

[M-H]-

464.16272

223.7

[M+NH4]+

483.20382

216.3

[M+K]+

504.13316

216.8

[M+H-H2O]+

448.16726

200.8

[M+HCOO]-

510.16820

226.9

[M+CH3COO]-

524.18385

219.9

[M+Na-2H]-

486.14467

208.6

[M]+

465.16945

215.4

[M]-

465.17055

215.4

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

Schembl2841627

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe