CID 10430981

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

Structural Information

Molecular Formula
C23H27FN2O3
SMILES
CCN(CC)C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)OC(C)C
InChI
InChI=1S/C23H27FN2O3/c1-6-26(7-2)18-13-19-17(12-20(18)28-14(3)4)21(23(27)25-5)22(29-19)15-8-10-16(24)11-9-15/h8-14H,6-7H2,1-5H3,(H,25,27)
InChIKey
DJWNESFHJLQFCT-UHFFFAOYSA-N
Compound name
6-(diethylamino)-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

398.20056 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.20784 200.2
[M+Na]+ 421.18978 207.5
[M-H]- 397.19328 209.2
[M+NH4]+ 416.23438 213.3
[M+K]+ 437.16372 205.3
[M+H-H2O]+ 381.19782 190.8
[M+HCOO]- 443.19876 222.6
[M+CH3COO]- 457.21441 234.6
[M+Na-2H]- 419.17523 199.1
[M]+ 398.20001 206.9
[M]- 398.20111 206.9
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