CID 16073298

Schembl2840276

Structural Information

Molecular Formula
C22H24FNO4
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C(C)(C)O
InChI
InChI=1S/C22H24FNO4/c1-12(2)27-18-10-15-17(11-16(18)22(3,4)26)28-20(19(15)21(25)24-5)13-6-8-14(23)9-7-13/h6-12,26H,1-5H3,(H,24,25)
InChIKey
HFCXIRFVHKGXRZ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-(2-hydroxypropan-2-yl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

385.16895 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.17623 192.9
[M+Na]+ 408.15817 201.1
[M-H]- 384.16167 199.7
[M+NH4]+ 403.20277 205.6
[M+K]+ 424.13211 198.4
[M+H-H2O]+ 368.16621 185.1
[M+HCOO]- 430.16715 211.2
[M+CH3COO]- 444.18280 223.6
[M+Na-2H]- 406.14362 193.6
[M]+ 385.16840 197.9
[M]- 385.16950 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