CID 16073433

Schembl2845474

Structural Information

Molecular Formula
C21H22FNO3
SMILES
CCC1=CC2=C(C=C1C(C)(C)O)OC(=C2C(=O)NC)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H22FNO3/c1-5-12-10-15-17(11-16(12)21(2,3)25)26-19(18(15)20(24)23-4)13-6-8-14(22)9-7-13/h6-11,25H,5H2,1-4H3,(H,23,24)
InChIKey
JJWVZLSEIYONSU-UHFFFAOYSA-N
Compound name
5-ethyl-2-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

355.1584 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16568 185.4
[M+Na]+ 378.14762 194.8
[M-H]- 354.15112 192.4
[M+NH4]+ 373.19222 199.7
[M+K]+ 394.12156 190.8
[M+H-H2O]+ 338.15566 177.9
[M+HCOO]- 400.15660 205.0
[M+CH3COO]- 414.17225 217.5
[M+Na-2H]- 376.13307 187.6
[M]+ 355.15785 189.4
[M]- 355.15895 189.4
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