CID 16073332

Schembl2845114

Structural Information

Molecular Formula
C22H25FN2O3
SMILES
CC(C)OC1=CC2=C(C=C1CN(C)C)OC(=C2C(=O)NC)C3=CC=C(C=C3)F
InChI
InChI=1S/C22H25FN2O3/c1-13(2)27-18-11-17-19(10-15(18)12-25(4)5)28-21(20(17)22(26)24-3)14-6-8-16(23)9-7-14/h6-11,13H,12H2,1-5H3,(H,24,26)
InChIKey
OLTGZZSKFAONEA-UHFFFAOYSA-N
Compound name
6-[(dimethylamino)methyl]-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

384.1849 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19218 195.4
[M+Na]+ 407.17412 203.2
[M-H]- 383.17762 204.6
[M+NH4]+ 402.21872 209.1
[M+K]+ 423.14806 201.2
[M+H-H2O]+ 367.18216 186.2
[M+HCOO]- 429.18310 218.1
[M+CH3COO]- 443.19875 231.6
[M+Na-2H]- 405.15957 194.9
[M]+ 384.18435 201.8
[M]- 384.18545 201.8
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