PubChemLite - Schembl2840667 (C25H29FN2O4)

Structural Information

Molecular Formula

SMILES

CC1CN(CC(O1)C)C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)OC(C)C

InChI

InChI=1S/C25H29FN2O4/c1-14(2)30-22-10-19-21(11-20(22)28-12-15(3)31-16(4)13-28)32-24(23(19)25(29)27-5)17-6-8-18(26)9-7-17/h6-11,14-16H,12-13H2,1-5H3,(H,27,29)

InChIKey

WRHJSCXSNNTSDM-UHFFFAOYSA-N

Compound name

6-(2,6-dimethylmorpholin-4-yl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-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]+	441.21840	211.3
[M+Na]+	463.20034	218.5
[M-H]-	439.20384	221.1
[M+NH4]+	458.24494	219.4
[M+K]+	479.17428	216.0
[M+H-H2O]+	423.20838	201.0
[M+HCOO]-	485.20932	226.2
[M+CH3COO]-	499.22497	237.1
[M+Na-2H]-	461.18579	207.7
[M]+	440.21057	214.7
[M]-	440.21167	214.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.21840

211.3

[M+Na]+

463.20034

218.5

[M-H]-

439.20384

221.1

[M+NH4]+

458.24494

219.4

[M+K]+

479.17428

216.0

[M+H-H2O]+

423.20838

201.0

[M+HCOO]-

485.20932

226.2

[M+CH3COO]-

499.22497

237.1

[M+Na-2H]-

461.18579

207.7

[M]+

440.21057

214.7

[M]-

440.21167

214.7

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

Schembl2840667

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe