CID 16073444

Schembl2839175

Structural Information

Molecular Formula
C23H21FN2O5
SMILES
CCOCC1=CC(=NO1)C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)OC
InChI
InChI=1S/C23H21FN2O5/c1-4-29-12-15-9-18(26-31-15)16-10-20-17(11-19(16)28-3)21(23(27)25-2)22(30-20)13-5-7-14(24)8-6-13/h5-11H,4,12H2,1-3H3,(H,25,27)
InChIKey
JYGSHQIHNYDQND-UHFFFAOYSA-N
Compound name
6-[5-(ethoxymethyl)-1,2-oxazol-3-yl]-2-(4-fluorophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

424.14346 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.15074 200.9
[M+Na]+ 447.13268 210.8
[M-H]- 423.13618 212.2
[M+NH4]+ 442.17728 211.5
[M+K]+ 463.10662 208.7
[M+H-H2O]+ 407.14072 192.0
[M+HCOO]- 469.14166 222.9
[M+CH3COO]- 483.15731 229.8
[M+Na-2H]- 445.11813 200.6
[M]+ 424.14291 210.4
[M]- 424.14401 210.4
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