CID 16073207

Schembl2840637

Structural Information

Molecular Formula
C18H17NO3
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)COC)C3=CC=CC=C3
InChI
InChI=1S/C18H17NO3/c1-19-18(20)16-14-10-12(11-21-2)8-9-15(14)22-17(16)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,20)
InChIKey
ZQSFYDIRYQMJIN-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-N-methyl-2-phenyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

295.12085 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 167.9
[M+Na]+ 318.11007 177.0
[M-H]- 294.11357 177.2
[M+NH4]+ 313.15467 184.7
[M+K]+ 334.08401 174.1
[M+H-H2O]+ 278.11811 160.6
[M+HCOO]- 340.11905 192.9
[M+CH3COO]- 354.13470 205.3
[M+Na-2H]- 316.09552 173.1
[M]+ 295.12030 173.4
[M]- 295.12140 173.4
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