PubChemLite - Schembl2838955 (C26H26FN3O5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H26FN3O5/c1-15-20(16(2)35-29-15)14-33-23-12-19-22(13-21(23)30-8-10-32-11-9-30)34-25(24(19)26(31)28-3)17-4-6-18(27)7-5-17/h4-7,12-13H,8-11,14H2,1-3H3,(H,28,31)

InChIKey

WJFHMWCIZPYBNT-UHFFFAOYSA-N

Compound name

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-(4-fluorophenyl)-N-methyl-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]+	480.19292	217.0
[M+Na]+	502.17486	224.9
[M-H]-	478.17836	229.9
[M+NH4]+	497.21946	222.0
[M+K]+	518.14880	223.0
[M+H-H2O]+	462.18290	206.8
[M+HCOO]-	524.18384	232.4
[M+CH3COO]-	538.19949	225.7
[M+Na-2H]-	500.16031	213.3
[M]+	479.18509	222.1
[M]-	479.18619	222.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.19292

217.0

[M+Na]+

502.17486

224.9

[M-H]-

478.17836

229.9

[M+NH4]+

497.21946

222.0

[M+K]+

518.14880

223.0

[M+H-H2O]+

462.18290

206.8

[M+HCOO]-

524.18384

232.4

[M+CH3COO]-

538.19949

225.7

[M+Na-2H]-

500.16031

213.3

[M]+

479.18509

222.1

[M]-

479.18619

222.1

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

Schembl2838955

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe