CID 16073517

Schembl2835749

Structural Information

Molecular Formula
C22H25FN2O3
SMILES
CCN(CC)C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)OCC
InChI
InChI=1S/C22H25FN2O3/c1-5-25(6-2)17-13-18-16(12-19(17)27-7-3)20(22(26)24-4)21(28-18)14-8-10-15(23)11-9-14/h8-13H,5-7H2,1-4H3,(H,24,26)
InChIKey
XXINRQNPVVYIMZ-UHFFFAOYSA-N
Compound name
6-(diethylamino)-5-ethoxy-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

384.1849 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19218 195.2
[M+Na]+ 407.17412 203.3
[M-H]- 383.17762 204.2
[M+NH4]+ 402.21872 208.9
[M+K]+ 423.14806 200.6
[M+H-H2O]+ 367.18216 185.7
[M+HCOO]- 429.18310 218.9
[M+CH3COO]- 443.19875 230.7
[M+Na-2H]- 405.15957 195.8
[M]+ 384.18435 202.2
[M]- 384.18545 202.2
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