CID 16073472

Schembl2836709

Structural Information

Molecular Formula
C23H21FN2O4
SMILES
CCNC(=O)C1=C(OC2=CC(=C(C=C21)OC)C3=C(ON=C3C)C)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H21FN2O4/c1-5-25-23(27)21-17-10-18(28-4)16(20-12(2)26-30-13(20)3)11-19(17)29-22(21)14-6-8-15(24)9-7-14/h6-11H,5H2,1-4H3,(H,25,27)
InChIKey
IUAPVUBMXSXVSV-UHFFFAOYSA-N
Compound name
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

408.14853 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.15581 199.1
[M+Na]+ 431.13775 210.3
[M-H]- 407.14125 210.9
[M+NH4]+ 426.18235 210.9
[M+K]+ 447.11169 207.4
[M+H-H2O]+ 391.14579 190.7
[M+HCOO]- 453.14673 221.0
[M+CH3COO]- 467.16238 210.9
[M+Na-2H]- 429.12320 198.0
[M]+ 408.14798 207.7
[M]- 408.14908 207.7
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