CID 16073461

Schembl2835491

Structural Information

Molecular Formula
C23H27FN2O4
SMILES
CCNC1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)OCCCOCC
InChI
InChI=1S/C23H27FN2O4/c1-4-26-18-14-19-17(13-20(18)29-12-6-11-28-5-2)21(23(27)25-3)22(30-19)15-7-9-16(24)10-8-15/h7-10,13-14,26H,4-6,11-12H2,1-3H3,(H,25,27)
InChIKey
ABHNJCVRUJMIHV-UHFFFAOYSA-N
Compound name
5-(3-ethoxypropoxy)-6-(ethylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

414.1955 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.20278 201.6
[M+Na]+ 437.18472 208.7
[M-H]- 413.18822 208.9
[M+NH4]+ 432.22932 213.3
[M+K]+ 453.15866 205.3
[M+H-H2O]+ 397.19276 191.7
[M+HCOO]- 459.19370 224.6
[M+CH3COO]- 473.20935 232.6
[M+Na-2H]- 435.17017 202.6
[M]+ 414.19495 209.0
[M]- 414.19605 209.0
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

patents stripe