CID 16073534

Schembl2835997

Structural Information

Molecular Formula
C24H25FN2O3
SMILES
CCC1=CC2=C(C=C1C3CCCN3C(=O)C)OC(=C2C(=O)NC)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H25FN2O3/c1-4-15-12-19-21(13-18(15)20-6-5-11-27(20)14(2)28)30-23(22(19)24(29)26-3)16-7-9-17(25)10-8-16/h7-10,12-13,20H,4-6,11H2,1-3H3,(H,26,29)
InChIKey
ATOLEIQINKVCSA-UHFFFAOYSA-N
Compound name
6-(1-acetylpyrrolidin-2-yl)-5-ethyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

408.1849 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.19218 199.9
[M+Na]+ 431.17412 207.8
[M-H]- 407.17762 209.8
[M+NH4]+ 426.21872 212.5
[M+K]+ 447.14806 203.3
[M+H-H2O]+ 391.18216 191.2
[M+HCOO]- 453.18310 218.7
[M+CH3COO]- 467.19875 228.4
[M+Na-2H]- 429.15957 195.6
[M]+ 408.18435 202.3
[M]- 408.18545 202.3
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