CID 16073203

Schembl2840501

Structural Information

Molecular Formula
C20H21NO3
SMILES
CCCCOC1=CC2=C(C=C1)OC(=C2C(=O)NC)C3=CC=CC=C3
InChI
InChI=1S/C20H21NO3/c1-3-4-12-23-15-10-11-17-16(13-15)18(20(22)21-2)19(24-17)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3,(H,21,22)
InChIKey
LOCSDBYBZQSOLD-UHFFFAOYSA-N
Compound name
5-butoxy-N-methyl-2-phenyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

323.15213 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15941 177.5
[M+Na]+ 346.14135 185.6
[M-H]- 322.14485 186.3
[M+NH4]+ 341.18595 193.1
[M+K]+ 362.11529 182.3
[M+H-H2O]+ 306.14939 169.7
[M+HCOO]- 368.15033 201.7
[M+CH3COO]- 382.16598 211.2
[M+Na-2H]- 344.12680 181.5
[M]+ 323.15158 183.6
[M]- 323.15268 183.6
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