CID 16073318

Schembl2835734

Structural Information

Molecular Formula
C21H22FNO4
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C(C)O
InChI
InChI=1S/C21H22FNO4/c1-11(2)26-17-10-16-18(9-15(17)12(3)24)27-20(19(16)21(25)23-4)13-5-7-14(22)8-6-13/h5-12,24H,1-4H3,(H,23,25)
InChIKey
VUFRJUGJVNFYSV-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-6-(1-hydroxyethyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

371.1533 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.16058 188.9
[M+Na]+ 394.14252 197.0
[M-H]- 370.14602 195.7
[M+NH4]+ 389.18712 202.0
[M+K]+ 410.11646 194.3
[M+H-H2O]+ 354.15056 180.8
[M+HCOO]- 416.15150 208.2
[M+CH3COO]- 430.16715 221.2
[M+Na-2H]- 392.12797 187.8
[M]+ 371.15275 193.5
[M]- 371.15385 193.5
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