CID 16073473

Schembl2836440

Structural Information

Molecular Formula
C24H23FN2O4
SMILES
CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)OC(=C3C(=O)NC(C)C)C4=CC=C(C=C4)F)OC
InChI
InChI=1S/C24H23FN2O4/c1-12(2)26-24(28)22-18-10-19(29-5)17(21-13(3)27-31-14(21)4)11-20(18)30-23(22)15-6-8-16(25)9-7-15/h6-12H,1-5H3,(H,26,28)
InChIKey
YWMAGZFMAMMSRX-UHFFFAOYSA-N
Compound name
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-5-methoxy-N-propan-2-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

422.16418 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.17146 204.0
[M+Na]+ 445.15340 214.3
[M-H]- 421.15690 215.7
[M+NH4]+ 440.19800 215.0
[M+K]+ 461.12734 211.9
[M+H-H2O]+ 405.16144 195.6
[M+HCOO]- 467.16238 224.5
[M+CH3COO]- 481.17803 232.7
[M+Na-2H]- 443.13885 201.2
[M]+ 422.16363 212.3
[M]- 422.16473 212.3
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