CID 16073456

Schembl2834640

Structural Information

Molecular Formula
C20H20ClFN2O3
SMILES
CCN(C)C1=CC2=C(C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C(=C1OC)Cl
InChI
InChI=1S/C20H20ClFN2O3/c1-5-24(3)13-10-14-15(17(21)19(13)26-4)16(20(25)23-2)18(27-14)11-6-8-12(22)9-7-11/h6-10H,5H2,1-4H3,(H,23,25)
InChIKey
DYDSYDWJEGCMON-UHFFFAOYSA-N
Compound name
4-chloro-6-[ethyl(methyl)amino]-2-(4-fluorophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

390.11465 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12193 193.8
[M+Na]+ 413.10387 204.5
[M-H]- 389.10737 203.5
[M+NH4]+ 408.14847 208.6
[M+K]+ 429.07781 200.7
[M+H-H2O]+ 373.11191 185.8
[M+HCOO]- 435.11285 213.7
[M+CH3COO]- 449.12850 229.6
[M+Na-2H]- 411.08932 194.2
[M]+ 390.11410 203.1
[M]- 390.11520 203.1
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