CID 16073407

Schembl2836432

Structural Information

Molecular Formula
C22H19FN2O5
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)C3=NOC(=C3)COC)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H19FN2O5/c1-24-22(26)20-16-10-18(28-3)15(17-8-14(11-27-2)30-25-17)9-19(16)29-21(20)12-4-6-13(23)7-5-12/h4-10H,11H2,1-3H3,(H,24,26)
InChIKey
LZCGMCFOVMFYOY-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methoxy-6-[5-(methoxymethyl)-1,2-oxazol-3-yl]-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

410.1278 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.13508 196.2
[M+Na]+ 433.11702 206.6
[M-H]- 409.12052 207.7
[M+NH4]+ 428.16162 207.4
[M+K]+ 449.09096 204.7
[M+H-H2O]+ 393.12506 187.5
[M+HCOO]- 455.12600 218.6
[M+CH3COO]- 469.14165 226.9
[M+Na-2H]- 431.10247 196.5
[M]+ 410.12725 205.4
[M]- 410.12835 205.4
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