CID 16073331

Schembl2836163

Structural Information

Molecular Formula
C22H17FN2O3
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)C3=CN=CC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H17FN2O3/c1-24-22(26)20-17-11-18(27-2)16(14-4-3-9-25-12-14)10-19(17)28-21(20)13-5-7-15(23)8-6-13/h3-12H,1-2H3,(H,24,26)
InChIKey
RHRWIWLMVMFYKL-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyridin-3-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

376.1223 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.12958 189.2
[M+Na]+ 399.11152 199.4
[M-H]- 375.11502 199.3
[M+NH4]+ 394.15612 201.0
[M+K]+ 415.08546 194.7
[M+H-H2O]+ 359.11956 178.6
[M+HCOO]- 421.12050 211.4
[M+CH3COO]- 435.13615 200.5
[M+Na-2H]- 397.09697 192.1
[M]+ 376.12175 193.6
[M]- 376.12285 193.6
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