CID 16073479

Schembl2838947

Structural Information

Molecular Formula
C22H23FN2O4
SMILES
CC(=O)NC(C)(C)C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)OC
InChI
InChI=1S/C22H23FN2O4/c1-12(26)25-22(2,3)16-11-17-15(10-18(16)28-5)19(21(27)24-4)20(29-17)13-6-8-14(23)9-7-13/h6-11H,1-5H3,(H,24,27)(H,25,26)
InChIKey
CNTZJFFIFXVTRQ-UHFFFAOYSA-N
Compound name
6-(2-acetamidopropan-2-yl)-2-(4-fluorophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

398.16418 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.17146 196.3
[M+Na]+ 421.15340 204.4
[M-H]- 397.15690 204.4
[M+NH4]+ 416.19800 208.8
[M+K]+ 437.12734 201.9
[M+H-H2O]+ 381.16144 187.9
[M+HCOO]- 443.16238 217.3
[M+CH3COO]- 457.17803 229.8
[M+Na-2H]- 419.13885 198.0
[M]+ 398.16363 201.7
[M]- 398.16473 201.7
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