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]+ 369.16091 188.6
[M+Na]+ 391.14285 197.3
[M-H]- 367.14635 196.5
[M+NH4]+ 386.18745 202.3
[M+K]+ 407.11679 192.9
[M+H-H2O]+ 351.15089 179.6
[M+HCOO]- 413.15183 212.4
[M+CH3COO]- 427.16748 223.9
[M+Na-2H]- 389.12830 190.6
[M]+ 368.15308 193.4
[M]- 368.15418 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