CID 10361797

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

Structural Information

Molecular Formula
C21H23FN2O3
SMILES
CCNC1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)OC(C)C
InChI
InChI=1S/C21H23FN2O3/c1-5-24-16-11-17-15(10-18(16)26-12(2)3)19(21(25)23-4)20(27-17)13-6-8-14(22)9-7-13/h6-12,24H,5H2,1-4H3,(H,23,25)
InChIKey
BPXZDUFFNSWITR-UHFFFAOYSA-N
Compound name
6-(ethylamino)-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

12
Patents

370.16928 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17656 190.3
[M+Na]+ 393.15850 198.4
[M-H]- 369.16200 198.2
[M+NH4]+ 388.20310 203.9
[M+K]+ 409.13244 195.2
[M+H-H2O]+ 353.16654 181.3
[M+HCOO]- 415.16748 212.9
[M+CH3COO]- 429.18313 225.5
[M+Na-2H]- 391.14395 191.0
[M]+ 370.16873 195.2
[M]- 370.16983 195.2
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