CID 16073239

Schembl2865117

Structural Information

Molecular Formula
C20H18FN5O3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C4=NNN=N4
InChI
InChI=1S/C20H18FN5O3/c1-10(2)28-16-8-13-15(9-14(16)19-23-25-26-24-19)29-18(17(13)20(27)22-3)11-4-6-12(21)7-5-11/h4-10H,1-3H3,(H,22,27)(H,23,24,25,26)
InChIKey
BYCXXQCRIZPQOB-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6-(2H-tetrazol-5-yl)-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

395.13937 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.14665 191.6
[M+Na]+ 418.12859 201.4
[M-H]- 394.13209 197.5
[M+NH4]+ 413.17319 199.7
[M+K]+ 434.10253 196.5
[M+H-H2O]+ 378.13663 180.9
[M+HCOO]- 440.13757 208.9
[M+CH3COO]- 454.15322 201.1
[M+Na-2H]- 416.11404 191.2
[M]+ 395.13882 195.5
[M]- 395.13992 195.5
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