CID 16073494

Schembl2842323

Structural Information

Molecular Formula
C22H18F2N2O4
SMILES
CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=C(C=C(C=C4)F)F)OC
InChI
InChI=1S/C22H18F2N2O4/c1-10-19(11(2)30-26-10)14-9-18-15(8-17(14)28-4)20(22(27)25-3)21(29-18)13-6-5-12(23)7-16(13)24/h5-9H,1-4H3,(H,25,27)
InChIKey
GZRBYCRTZUTPDN-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

412.12347 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.13075 198.1
[M+Na]+ 435.11269 210.6
[M-H]- 411.11619 209.0
[M+NH4]+ 430.15729 209.9
[M+K]+ 451.08663 207.5
[M+H-H2O]+ 395.12073 189.1
[M+HCOO]- 457.12167 219.2
[M+CH3COO]- 471.13732 210.0
[M+Na-2H]- 433.09814 196.1
[M]+ 412.12292 205.8
[M]- 412.12402 205.8
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