CID 16073328

Schembl2841390

Structural Information

Molecular Formula
C23H21FN2O4
SMILES
CC1=NOC(=C1)C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)OC(C)C
InChI
InChI=1S/C23H21FN2O4/c1-12(2)28-18-11-17-19(10-16(18)20-9-13(3)26-30-20)29-22(21(17)23(27)25-4)14-5-7-15(24)8-6-14/h5-12H,1-4H3,(H,25,27)
InChIKey
YMIAKUBNRPOKFH-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-(3-methyl-1,2-oxazol-5-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 198.9
[M+Na]+ 431.13775 208.8
[M-H]- 407.14125 210.3
[M+NH4]+ 426.18235 210.2
[M+K]+ 447.11169 206.5
[M+H-H2O]+ 391.14579 190.4
[M+HCOO]- 453.14673 219.8
[M+CH3COO]- 467.16238 210.2
[M+Na-2H]- 429.12320 197.3
[M]+ 408.14798 206.5
[M]- 408.14908 206.5
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