CID 16073359

Schembl2837519

Structural Information

Molecular Formula
C23H25FN2O3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C4CCCN4
InChI
InChI=1S/C23H25FN2O3/c1-13(2)28-19-12-17-20(11-16(19)18-5-4-10-26-18)29-22(21(17)23(27)25-3)14-6-8-15(24)9-7-14/h6-9,11-13,18,26H,4-5,10H2,1-3H3,(H,25,27)
InChIKey
BBUQKTZGIFXZLZ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6-pyrrolidin-2-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

396.1849 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.19218 195.3
[M+Na]+ 419.17412 201.9
[M-H]- 395.17762 203.6
[M+NH4]+ 414.21872 207.4
[M+K]+ 435.14806 197.5
[M+H-H2O]+ 379.18216 186.6
[M+HCOO]- 441.18310 212.8
[M+CH3COO]- 455.19875 204.7
[M+Na-2H]- 417.15957 191.8
[M]+ 396.18435 195.9
[M]- 396.18545 195.9
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