CID 16073222

6-(cyclopropylmethyl-amino)-2-(4-fluoro-phenyl)-5-isopropoxy-benzofuran-3-carboxylic acid methylamide

Structural Information

Molecular Formula
C23H25FN2O3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)N(C)C4CC4
InChI
InChI=1S/C23H25FN2O3/c1-13(2)28-20-11-17-19(12-18(20)26(4)16-9-10-16)29-22(21(17)23(27)25-3)14-5-7-15(24)8-6-14/h5-8,11-13,16H,9-10H2,1-4H3,(H,25,27)
InChIKey
VQLPTYXOIOLQQU-UHFFFAOYSA-N
Compound name
6-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1849 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.19218 188.1
[M+Na]+ 419.17412 197.1
[M-H]- 395.17762 200.5
[M+NH4]+ 414.21872 196.6
[M+K]+ 435.14806 193.6
[M+H-H2O]+ 379.18216 179.5
[M+HCOO]- 441.18310 210.8
[M+CH3COO]- 455.19875 234.0
[M+Na-2H]- 417.15957 188.3
[M]+ 396.18435 196.0
[M]- 396.18545 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

No patent data available for this compound.