CID 16073266

Schembl2841521

Structural Information

Molecular Formula
C22H19FN2O4
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C4=CN=CO4
InChI
InChI=1S/C22H19FN2O4/c1-12(2)28-17-9-16-18(8-15(17)19-10-25-11-27-19)29-21(20(16)22(26)24-3)13-4-6-14(23)7-5-13/h4-12H,1-3H3,(H,24,26)
InChIKey
ZOALCRHQTSNHEZ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-(1,3-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

394.13287 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.14015 193.6
[M+Na]+ 417.12209 203.1
[M-H]- 393.12559 204.9
[M+NH4]+ 412.16669 205.2
[M+K]+ 433.09603 201.0
[M+H-H2O]+ 377.13013 185.0
[M+HCOO]- 439.13107 214.9
[M+CH3COO]- 453.14672 205.0
[M+Na-2H]- 415.10754 193.3
[M]+ 394.13232 200.5
[M]- 394.13342 200.5
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