CID 16073460

Schembl2835740

Structural Information

Molecular Formula
C21H21FN2O3
SMILES
CCNC1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)OCC=C
InChI
InChI=1S/C21H21FN2O3/c1-4-10-26-18-11-15-17(12-16(18)24-5-2)27-20(19(15)21(25)23-3)13-6-8-14(22)9-7-13/h4,6-9,11-12,24H,1,5,10H2,2-3H3,(H,23,25)
InChIKey
DFVRDYBCQWSWFZ-UHFFFAOYSA-N
Compound name
6-(ethylamino)-2-(4-fluorophenyl)-N-methyl-5-prop-2-enoxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

368.15363 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.160906 188.6
[M+Na]+ 391.142848 197.3
[M-H]- 367.146354 196.5
[M+NH4]+ 386.187453 202.3
[M+K]+ 407.116788 192.9
[M+H-H2O]+ 351.150890 179.6
[M+HCOO]- 413.151831 212.4
[M+CH3COO]- 427.167481 223.9
[M+Na-2H]- 389.128296 190.6
[M]+ 368.15308142 193.4
[M]- 368.15417858 193.4
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