CID 10474183

Schembl2845472

Structural Information

Molecular Formula
C21H21FN2O3
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)N3CCCC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H21FN2O3/c1-23-21(25)19-15-11-18(26-2)16(24-9-3-4-10-24)12-17(15)27-20(19)13-5-7-14(22)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,25)
InChIKey
CCVWNFVJGCUAPV-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

368.15363 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16091 186.0
[M+Na]+ 391.14285 194.4
[M-H]- 367.14635 195.8
[M+NH4]+ 386.18745 200.1
[M+K]+ 407.11679 190.5
[M+H-H2O]+ 351.15089 177.1
[M+HCOO]- 413.15183 206.7
[M+CH3COO]- 427.16748 197.1
[M+Na-2H]- 389.12830 185.0
[M]+ 368.15308 188.3
[M]- 368.15418 188.3
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