CID 10067470

Schembl2840381

Structural Information

Molecular Formula
C21H22N2O4
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)OC)C3=CC=C(C=C3)N4CCOCC4
InChI
InChI=1S/C21H22N2O4/c1-22-21(24)19-17-13-16(25-2)7-8-18(17)27-20(19)14-3-5-15(6-4-14)23-9-11-26-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,22,24)
InChIKey
RITQTQJDJQUXSE-UHFFFAOYSA-N
Compound name
5-methoxy-N-methyl-2-(4-morpholin-4-ylphenyl)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

366.15796 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16524 187.0
[M+Na]+ 389.14718 193.7
[M-H]- 365.15068 197.7
[M+NH4]+ 384.19178 197.4
[M+K]+ 405.12112 191.7
[M+H-H2O]+ 349.15522 177.5
[M+HCOO]- 411.15616 205.6
[M+CH3COO]- 425.17181 197.4
[M+Na-2H]- 387.13263 189.5
[M]+ 366.15741 189.4
[M]- 366.15851 189.4
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