CID 10404038

Schembl2842325

Structural Information

Molecular Formula
C19H19NO4
SMILES
CC(C)OC1=CC2=C(C=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)O
InChI
InChI=1S/C19H19NO4/c1-11(2)23-14-8-9-16-15(10-14)17(19(22)20-3)18(24-16)12-4-6-13(21)7-5-12/h4-11,21H,1-3H3,(H,20,22)
InChIKey
LHKINJAOCQNWFP-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

325.1314 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 176.2
[M+Na]+ 348.12062 184.6
[M-H]- 324.12412 184.3
[M+NH4]+ 343.16522 191.1
[M+K]+ 364.09456 182.1
[M+H-H2O]+ 308.12866 169.0
[M+HCOO]- 370.12960 198.3
[M+CH3COO]- 384.14525 210.3
[M+Na-2H]- 346.10607 178.6
[M]+ 325.13085 181.4
[M]- 325.13195 181.4
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