CID 16073307

Schembl2869199

Structural Information

Molecular Formula
C20H18FN5O4
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)OCC3=NN=NN3C)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H18FN5O4/c1-22-20(27)18-13-8-15(28-3)16(29-10-17-23-24-25-26(17)2)9-14(13)30-19(18)11-4-6-12(21)7-5-11/h4-9H,10H2,1-3H3,(H,22,27)
InChIKey
BYPWPOJNBQYXHJ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-[(1-methyltetrazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

411.13428 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.14156 195.0
[M+Na]+ 434.12350 206.1
[M-H]- 410.12700 202.4
[M+NH4]+ 429.16810 203.3
[M+K]+ 450.09744 202.1
[M+H-H2O]+ 394.13154 183.8
[M+HCOO]- 456.13248 214.8
[M+CH3COO]- 470.14813 205.3
[M+Na-2H]- 432.10895 195.3
[M]+ 411.13373 202.9
[M]- 411.13483 202.9
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