PubChemLite - Schembl2863155 (C30H27FN4O5)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)COC3=C(C=C4C(=C3)C(=C(O4)C5=CC=C(C=C5)F)C(=O)NC)N6CCOCC6

InChI

InChI=1S/C30H27FN4O5/c1-18-3-5-20(6-4-18)30-34-33-26(40-30)17-38-25-15-22-24(16-23(25)35-11-13-37-14-12-35)39-28(27(22)29(36)32-2)19-7-9-21(31)10-8-19/h3-10,15-16H,11-14,17H2,1-2H3,(H,32,36)

InChIKey

NNFSVIXBPWIMKJ-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-N-methyl-5-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-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]+	543.20381	230.0
[M+Na]+	565.18575	237.0
[M-H]-	541.18925	244.3
[M+NH4]+	560.23035	230.2
[M+K]+	581.15969	234.1
[M+H-H2O]+	525.19379	217.5
[M+HCOO]-	587.19473	243.6
[M+CH3COO]-	601.21038	237.0
[M+Na-2H]-	563.17120	225.6
[M]+	542.19598	233.9
[M]-	542.19708	233.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

543.20381

230.0

[M+Na]+

565.18575

237.0

[M-H]-

541.18925

244.3

[M+NH4]+

560.23035

230.2

[M+K]+

581.15969

234.1

[M+H-H2O]+

525.19379

217.5

[M+HCOO]-

587.19473

243.6

[M+CH3COO]-

601.21038

237.0

[M+Na-2H]-

563.17120

225.6

[M]+

542.19598

233.9

[M]-

542.19708

233.9

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

Schembl2863155

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe