CID 16073180

Schembl2836194

Structural Information

Molecular Formula
C22H19FN2O4
SMILES
CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)OC
InChI
InChI=1S/C22H19FN2O4/c1-11-19(12(2)29-25-11)15-10-18-16(9-17(15)27-4)20(22(26)24-3)21(28-18)13-5-7-14(23)8-6-13/h5-10H,1-4H3,(H,24,26)
InChIKey
KOKLRUYYSXFBBS-UHFFFAOYSA-N
Compound name
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

394.13287 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.14015 194.4
[M+Na]+ 417.12209 206.1
[M-H]- 393.12559 206.4
[M+NH4]+ 412.16669 206.7
[M+K]+ 433.09603 203.4
[M+H-H2O]+ 377.13013 186.2
[M+HCOO]- 439.13107 216.6
[M+CH3COO]- 453.14672 206.6
[M+Na-2H]- 415.10754 193.8
[M]+ 394.13232 202.7
[M]- 394.13342 202.7
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