CID 16073373

Schembl2873483

Structural Information

Molecular Formula
C21H19FN4O3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C4=NC=NN4
InChI
InChI=1S/C21H19FN4O3/c1-11(2)28-17-8-14-16(9-15(17)20-24-10-25-26-20)29-19(18(14)21(27)23-3)12-4-6-13(22)7-5-12/h4-11H,1-3H3,(H,23,27)(H,24,25,26)
InChIKey
OYFRMCPKNGAWEY-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6-(1H-1,2,4-triazol-5-yl)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

394.1441 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.15138 192.2
[M+Na]+ 417.13332 201.5
[M-H]- 393.13682 199.1
[M+NH4]+ 412.17792 201.7
[M+K]+ 433.10726 196.8
[M+H-H2O]+ 377.14136 182.0
[M+HCOO]- 439.14230 210.5
[M+CH3COO]- 453.15795 202.1
[M+Na-2H]- 415.11877 191.4
[M]+ 394.14355 196.0
[M]- 394.14465 196.0
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