CID 16073218

Schembl2840619

Structural Information

Molecular Formula
C22H23FN2O3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)N4CCC4
InChI
InChI=1S/C22H23FN2O3/c1-13(2)27-19-11-16-18(12-17(19)25-9-4-10-25)28-21(20(16)22(26)24-3)14-5-7-15(23)8-6-14/h5-8,11-13H,4,9-10H2,1-3H3,(H,24,26)
InChIKey
NSCWQIFGPZFBTL-UHFFFAOYSA-N
Compound name
6-(azetidin-1-yl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

382.16928 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17656 191.5
[M+Na]+ 405.15850 197.7
[M-H]- 381.16200 200.4
[M+NH4]+ 400.20310 196.8
[M+K]+ 421.13244 197.7
[M+H-H2O]+ 365.16654 176.2
[M+HCOO]- 427.16748 209.4
[M+CH3COO]- 441.18313 226.2
[M+Na-2H]- 403.14395 190.4
[M]+ 382.16873 203.3
[M]- 382.16983 203.3
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