CID 16073214

Schembl2840691

Structural Information

Molecular Formula
C21H21FN2O4
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)NC(=O)C
InChI
InChI=1S/C21H21FN2O4/c1-11(2)27-18-9-15-17(10-16(18)24-12(3)25)28-20(19(15)21(26)23-4)13-5-7-14(22)8-6-13/h5-11H,1-4H3,(H,23,26)(H,24,25)
InChIKey
DAJQFEVUDJWJPP-UHFFFAOYSA-N
Compound name
6-acetamido-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

384.14853 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15581 192.4
[M+Na]+ 407.13775 200.3
[M-H]- 383.14125 200.5
[M+NH4]+ 402.18235 205.3
[M+K]+ 423.11169 197.9
[M+H-H2O]+ 367.14579 183.6
[M+HCOO]- 429.14673 214.4
[M+CH3COO]- 443.16238 227.4
[M+Na-2H]- 405.12320 192.2
[M]+ 384.14798 197.4
[M]- 384.14908 197.4
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