CID 16073417

Schembl2869237

Structural Information

Molecular Formula
C20H17FN4O3
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)C3=NC=NN3C)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H17FN4O3/c1-22-20(26)17-13-8-15(27-3)14(19-23-10-24-25(19)2)9-16(13)28-18(17)11-4-6-12(21)7-5-11/h4-10H,1-3H3,(H,22,26)
InChIKey
CZLDGFMMGVHYDZ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-(2-methyl-1,2,4-triazol-3-yl)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

380.12848 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13576 188.7
[M+Na]+ 403.11770 200.2
[M-H]- 379.12120 197.3
[M+NH4]+ 398.16230 199.9
[M+K]+ 419.09164 195.8
[M+H-H2O]+ 363.12574 178.4
[M+HCOO]- 425.12668 209.8
[M+CH3COO]- 439.14233 200.1
[M+Na-2H]- 401.10315 189.0
[M]+ 380.12793 194.9
[M]- 380.12903 194.9
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