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

13
Patents

368.15363 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.160906 186.0
[M+Na]+ 391.142848 194.4
[M-H]- 367.146354 195.8
[M+NH4]+ 386.187453 200.1
[M+K]+ 407.116788 190.5
[M+H-H2O]+ 351.150890 177.1
[M+HCOO]- 413.151831 206.7
[M+CH3COO]- 427.167481 197.1
[M+Na-2H]- 389.128296 185.0
[M]+ 368.15308142 188.3
[M]- 368.15417858 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