CID 3067530

81718-73-2

Structural Information

Molecular Formula
C13H15NO3
SMILES
CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N(C)C
InChI
InChI=1S/C13H15NO3/c1-8-10-7-9(16-4)5-6-11(10)17-12(8)13(15)14(2)3/h5-7H,1-4H3
InChIKey
GYZLHRMOLXESCF-UHFFFAOYSA-N
Compound name
5-methoxy-N,N,3-trimethyl-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

233.1052 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 150.5
[M+Na]+ 256.09442 160.6
[M-H]- 232.09792 158.3
[M+NH4]+ 251.13902 171.1
[M+K]+ 272.06836 160.7
[M+H-H2O]+ 216.10246 144.7
[M+HCOO]- 278.10340 176.2
[M+CH3COO]- 292.11905 197.8
[M+Na-2H]- 254.07987 155.5
[M]+ 233.10465 158.0
[M]- 233.10575 158.0
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

patents stripe