CID 16073176

Schembl2837342

Structural Information

Molecular Formula
C22H24N2O4
SMILES
CC(C)OC1=CC2=C(C=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)CNC(=O)C
InChI
InChI=1S/C22H24N2O4/c1-13(2)27-17-9-10-19-18(11-17)20(22(26)23-4)21(28-19)16-7-5-15(6-8-16)12-24-14(3)25/h5-11,13H,12H2,1-4H3,(H,23,26)(H,24,25)
InChIKey
OXJVIPFSUQRLMK-UHFFFAOYSA-N
Compound name
2-[4-(acetamidomethyl)phenyl]-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

380.1736 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 193.9
[M+Na]+ 403.16282 200.3
[M-H]- 379.16632 202.8
[M+NH4]+ 398.20742 206.7
[M+K]+ 419.13676 198.2
[M+H-H2O]+ 363.17086 185.6
[M+HCOO]- 425.17180 216.6
[M+CH3COO]- 439.18745 226.3
[M+Na-2H]- 401.14827 194.5
[M]+ 380.17305 199.8
[M]- 380.17415 199.8
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