CID 16073225

Schembl2844244

Structural Information

Molecular Formula
C18H19NO4
SMILES
CC1=C(OC=C1)C2=C(C3=C(O2)C=CC(=C3)OC(C)C)C(=O)NC
InChI
InChI=1S/C18H19NO4/c1-10(2)22-12-5-6-14-13(9-12)15(18(20)19-4)17(23-14)16-11(3)7-8-21-16/h5-10H,1-4H3,(H,19,20)
InChIKey
YPZCHKCZNZGEEU-UHFFFAOYSA-N
Compound name
N-methyl-2-(3-methylfuran-2-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

313.1314 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 174.3
[M+Na]+ 336.12062 183.6
[M-H]- 312.12412 184.8
[M+NH4]+ 331.16522 191.1
[M+K]+ 352.09456 183.1
[M+H-H2O]+ 296.12866 168.8
[M+HCOO]- 358.12960 198.2
[M+CH3COO]- 372.14525 209.9
[M+Na-2H]- 334.10607 175.9
[M]+ 313.13085 182.5
[M]- 313.13195 182.5
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.