CID 218480

Brn 1688794

Structural Information

Molecular Formula
C16H21NO4
SMILES
CCN(CC)C(=O)C1=C(C2=C(O1)C(=C(C=C2)OC)OC)C
InChI
InChI=1S/C16H21NO4/c1-6-17(7-2)16(18)13-10(3)11-8-9-12(19-4)15(20-5)14(11)21-13/h8-9H,6-7H2,1-5H3
InChIKey
WBMAARBKBKDIGJ-UHFFFAOYSA-N
Compound name
N,N-diethyl-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.14706 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15434 167.6
[M+Na]+ 314.13628 177.0
[M-H]- 290.13978 175.2
[M+NH4]+ 309.18088 186.0
[M+K]+ 330.11022 177.1
[M+H-H2O]+ 274.14432 161.3
[M+HCOO]- 336.14526 192.4
[M+CH3COO]- 350.16091 210.2
[M+Na-2H]- 312.12173 170.4
[M]+ 291.14651 178.0
[M]- 291.14761 178.0
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

No patent data available for this compound.