CID 16073333

Schembl2841601

Structural Information

Molecular Formula
C23H26FNO4
SMILES
CC(C)C(C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)OC(C)C)O
InChI
InChI=1S/C23H26FNO4/c1-12(2)21(26)17-11-18-16(10-19(17)28-13(3)4)20(23(27)25-5)22(29-18)14-6-8-15(24)9-7-14/h6-13,21,26H,1-5H3,(H,25,27)
InChIKey
OYMCJMBJDMQAIR-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-(1-hydroxy-2-methylpropyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

399.1846 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.19188 198.3
[M+Na]+ 422.17382 205.1
[M-H]- 398.17732 204.7
[M+NH4]+ 417.21842 210.1
[M+K]+ 438.14776 202.6
[M+H-H2O]+ 382.18186 190.0
[M+HCOO]- 444.18280 215.8
[M+CH3COO]- 458.19845 228.0
[M+Na-2H]- 420.15927 194.9
[M]+ 399.18405 202.9
[M]- 399.18515 202.9
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