CID 16073411

Schembl2870794

Structural Information

Molecular Formula
C21H17FN2O3
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)C3=CNC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H17FN2O3/c1-23-21(25)19-16-10-17(26-2)15(13-7-8-24-11-13)9-18(16)27-20(19)12-3-5-14(22)6-4-12/h3-11,24H,1-2H3,(H,23,25)
InChIKey
YMBIVJAIUYEMPY-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-(1H-pyrrol-3-yl)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

364.1223 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.12958 184.0
[M+Na]+ 387.11152 193.9
[M-H]- 363.11502 193.4
[M+NH4]+ 382.15612 197.7
[M+K]+ 403.08546 189.0
[M+H-H2O]+ 347.11956 175.4
[M+HCOO]- 409.12050 206.1
[M+CH3COO]- 423.13615 195.5
[M+Na-2H]- 385.09697 184.6
[M]+ 364.12175 187.4
[M]- 364.12285 187.4
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