CID 16073470

Schembl2837464

Structural Information

Molecular Formula
C22H25FN2O3
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C(C)(C)N
InChI
InChI=1S/C22H25FN2O3/c1-12(2)27-18-10-15-17(11-16(18)22(3,4)24)28-20(19(15)21(26)25-5)13-6-8-14(23)9-7-13/h6-12H,24H2,1-5H3,(H,25,26)
InChIKey
FKRUHKSRTQSFEZ-UHFFFAOYSA-N
Compound name
6-(2-aminopropan-2-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

384.1849 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19218 195.0
[M+Na]+ 407.17412 203.0
[M-H]- 383.17762 202.6
[M+NH4]+ 402.21872 207.9
[M+K]+ 423.14806 200.0
[M+H-H2O]+ 367.18216 186.8
[M+HCOO]- 429.18310 215.0
[M+CH3COO]- 443.19875 228.5
[M+Na-2H]- 405.15957 195.4
[M]+ 384.18435 198.8
[M]- 384.18545 198.8
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