CID 16073212

Schembl2836554

Structural Information

Molecular Formula
C18H17NO4
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)OC)C3=CC=CC=C3
InChI
InChI=1S/C18H17NO4/c1-19-18(20)16-12-9-14(21-2)15(22-3)10-13(12)23-17(16)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,19,20)
InChIKey
JOWORPYYFQPGBP-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-N-methyl-2-phenyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

311.11575 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 170.9
[M+Na]+ 334.10497 180.6
[M-H]- 310.10847 180.5
[M+NH4]+ 329.14957 187.3
[M+K]+ 350.07891 178.5
[M+H-H2O]+ 294.11301 163.5
[M+HCOO]- 356.11395 196.0
[M+CH3COO]- 370.12960 208.7
[M+Na-2H]- 332.09042 175.5
[M]+ 311.11520 178.2
[M]- 311.11630 178.2
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