CID 16073276

Schembl2843888

Structural Information

Molecular Formula
C22H22ClFN2O4
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OCCCl)N3CCOCC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H22ClFN2O4/c1-25-22(27)20-16-12-19(29-9-6-23)17(26-7-10-28-11-8-26)13-18(16)30-21(20)14-2-4-15(24)5-3-14/h2-5,12-13H,6-11H2,1H3,(H,25,27)
InChIKey
LUNMECCXOFFBAG-UHFFFAOYSA-N
Compound name
5-(2-chloroethoxy)-2-(4-fluorophenyl)-N-methyl-6-morpholin-4-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

432.1252 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.13248 203.4
[M+Na]+ 455.11442 211.3
[M-H]- 431.11792 212.6
[M+NH4]+ 450.15902 212.3
[M+K]+ 471.08836 207.3
[M+H-H2O]+ 415.12246 193.3
[M+HCOO]- 477.12340 215.9
[M+CH3COO]- 491.13905 212.6
[M+Na-2H]- 453.09987 203.4
[M]+ 432.12465 208.0
[M]- 432.12575 208.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe