PubChemLite - Schembl2840751 (C24H23FN4O4)

Structural Information

Molecular Formula

SMILES

CNC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CN=CN3)N4CCOCC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H23FN4O4/c1-26-24(30)22-18-10-21(32-13-17-12-27-14-28-17)19(29-6-8-31-9-7-29)11-20(18)33-23(22)15-2-4-16(25)5-3-15/h2-5,10-12,14H,6-9,13H2,1H3,(H,26,30)(H,27,28)

InChIKey

PTRZEKFKIKNGNI-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-5-(1H-imidazol-5-ylmethoxy)-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]+	451.17760	204.0
[M+Na]+	473.15954	210.5
[M-H]-	449.16304	213.3
[M+NH4]+	468.20414	209.0
[M+K]+	489.13348	206.4
[M+H-H2O]+	433.16758	192.7
[M+HCOO]-	495.16852	218.3
[M+CH3COO]-	509.18417	211.9
[M+Na-2H]-	471.14499	202.1
[M]+	450.16977	204.5
[M]-	450.17087	204.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

451.17760

204.0

[M+Na]+

473.15954

210.5

[M-H]-

449.16304

213.3

[M+NH4]+

468.20414

209.0

[M+K]+

489.13348

206.4

[M+H-H2O]+

433.16758

192.7

[M+HCOO]-

495.16852

218.3

[M+CH3COO]-

509.18417

211.9

[M+Na-2H]-

471.14499

202.1

[M]+

450.16977

204.5

[M]-

450.17087

204.5

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

Schembl2840751

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe