CID 16073408

Schembl2835789

Structural Information

Molecular Formula
C21H17FN2O4
SMILES
CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)O
InChI
InChI=1S/C21H17FN2O4/c1-10-18(11(2)28-24-10)14-9-17-15(8-16(14)25)19(21(26)23-3)20(27-17)12-4-6-13(22)7-5-12/h4-9,25H,1-3H3,(H,23,26)
InChIKey
QCXJRVYAIQDRMO-UHFFFAOYSA-N
Compound name
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-hydroxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

380.11725 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.12453 189.7
[M+Na]+ 403.10647 201.4
[M-H]- 379.10997 200.6
[M+NH4]+ 398.15107 202.0
[M+K]+ 419.08041 198.2
[M+H-H2O]+ 363.11451 182.0
[M+HCOO]- 425.11545 210.9
[M+CH3COO]- 439.13110 201.8
[M+Na-2H]- 401.09192 189.3
[M]+ 380.11670 196.0
[M]- 380.11780 196.0
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