CID 16073179

Schembl2836706

Structural Information

Molecular Formula
C18H17NO3
SMILES
CC1=C(C=CC2=C1C(=C(O2)C3=CC=CC=C3)C(=O)NC)OC
InChI
InChI=1S/C18H17NO3/c1-11-13(21-3)9-10-14-15(11)16(18(20)19-2)17(22-14)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,19,20)
InChIKey
AJIXLXCXSOYEGV-UHFFFAOYSA-N
Compound name
5-methoxy-N,4-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

295.12085 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 168.0
[M+Na]+ 318.11007 178.0
[M-H]- 294.11357 177.7
[M+NH4]+ 313.15467 185.1
[M+K]+ 334.08401 175.1
[M+H-H2O]+ 278.11811 160.9
[M+HCOO]- 340.11905 192.9
[M+CH3COO]- 354.13470 206.5
[M+Na-2H]- 316.09552 172.5
[M]+ 295.12030 173.9
[M]- 295.12140 173.9
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