CID 102500228

1251730-60-5

Structural Information

Molecular Formula
C19H19NO4
SMILES
CC1=CC(=C2C=C(OC2=C1)C(=O)NC3=C(C=CC(=C3)OC)OC)C
InChI
InChI=1S/C19H19NO4/c1-11-7-12(2)14-10-18(24-17(14)8-11)19(21)20-15-9-13(22-3)5-6-16(15)23-4/h5-10H,1-4H3,(H,20,21)
InChIKey
KUBNPFPUDYJCDP-UHFFFAOYSA-N
Compound name
N-(2,5-dimethoxyphenyl)-4,6-dimethyl-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

325.1314 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.138676 175.8
[M+Na]+ 348.120618 185.9
[M-H]- 324.124124 185.6
[M+NH4]+ 343.165223 191.8
[M+K]+ 364.094558 183.6
[M+H-H2O]+ 308.128660 168.4
[M+HCOO]- 370.129601 200.4
[M+CH3COO]- 384.145251 213.0
[M+Na-2H]- 346.106066 179.1
[M]+ 325.13085142 183.8
[M]- 325.13194858 183.8
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