CID 16073190

Schembl2845468

Structural Information

Molecular Formula
C21H17FN2O5
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)C3=NOC(=C3)CO)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H17FN2O5/c1-23-21(26)19-15-9-17(27-2)14(16-7-13(10-25)29-24-16)8-18(15)28-20(19)11-3-5-12(22)6-4-11/h3-9,25H,10H2,1-2H3,(H,23,26)
InChIKey
UINGXHFXRZNZDE-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

396.11215 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.11943 191.4
[M+Na]+ 419.10137 201.8
[M-H]- 395.10487 201.8
[M+NH4]+ 414.14597 202.5
[M+K]+ 435.07531 199.3
[M+H-H2O]+ 379.10941 183.1
[M+HCOO]- 441.11035 212.7
[M+CH3COO]- 455.12600 202.9
[M+Na-2H]- 417.08682 191.9
[M]+ 396.11160 198.6
[M]- 396.11270 198.6
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