CID 10384533

Schembl2840049

Structural Information

Molecular Formula
C21H23FN2O3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)N(C)C
InChI
InChI=1S/C21H23FN2O3/c1-12(2)26-18-10-15-17(11-16(18)24(4)5)27-20(19(15)21(25)23-3)13-6-8-14(22)9-7-13/h6-12H,1-5H3,(H,23,25)
InChIKey
TWDYFIUAZBGLTL-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-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

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17656 190.6
[M+Na]+ 393.15850 198.8
[M-H]- 369.16200 200.0
[M+NH4]+ 388.20310 204.9
[M+K]+ 409.13244 197.0
[M+H-H2O]+ 353.16654 181.6
[M+HCOO]- 415.16748 213.7
[M+CH3COO]- 429.18313 228.7
[M+Na-2H]- 391.14395 190.6
[M]+ 370.16873 196.7
[M]- 370.16983 196.7
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