CID 10380846

Schembl2836428

Structural Information

Molecular Formula
C18H16FNO3
SMILES
CC1=C(C=CC(=C1)C2=C(C3=C(O2)C=CC(=C3)OC)C(=O)NC)F
InChI
InChI=1S/C18H16FNO3/c1-10-8-11(4-6-14(10)19)17-16(18(21)20-2)13-9-12(22-3)5-7-15(13)23-17/h4-9H,1-3H3,(H,20,21)
InChIKey
RJBBJCLRYOQWHP-UHFFFAOYSA-N
Compound name
2-(4-fluoro-3-methylphenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

313.11142 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11870 171.2
[M+Na]+ 336.10064 182.1
[M-H]- 312.10414 179.8
[M+NH4]+ 331.14524 187.8
[M+K]+ 352.07458 178.8
[M+H-H2O]+ 296.10868 163.3
[M+HCOO]- 358.10962 195.0
[M+CH3COO]- 372.12527 210.4
[M+Na-2H]- 334.08609 174.3
[M]+ 313.11087 176.5
[M]- 313.11197 176.5
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

patents stripe