CID 10023652

Schembl2840249

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)N4CCCC4
InChI
InChI=1S/C23H25FN2O3/c1-14(2)28-20-12-17-19(13-18(20)26-10-4-5-11-26)29-22(21(17)23(27)25-3)15-6-8-16(24)9-7-15/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,25,27)
InChIKey
OVSPNMGUNDGZPZ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

396.1849 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.19218 195.6
[M+Na]+ 419.17412 202.6
[M-H]- 395.17762 205.1
[M+NH4]+ 414.21872 208.4
[M+K]+ 435.14806 198.9
[M+H-H2O]+ 379.18216 186.6
[M+HCOO]- 441.18310 214.5
[M+CH3COO]- 455.19875 205.6
[M+Na-2H]- 417.15957 192.4
[M]+ 396.18435 197.9
[M]- 396.18545 197.9
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