CID 16073469

Schembl2843985

Structural Information

Molecular Formula
C22H25FN2O4
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)C(C)(CN)O
InChI
InChI=1S/C22H25FN2O4/c1-12(2)28-18-9-15-17(10-16(18)22(3,27)11-24)29-20(19(15)21(26)25-4)13-5-7-14(23)8-6-13/h5-10,12,27H,11,24H2,1-4H3,(H,25,26)
InChIKey
KQMUBBMKXYQEBJ-UHFFFAOYSA-N
Compound name
6-(1-amino-2-hydroxypropan-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

400.17984 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18712 197.6
[M+Na]+ 423.16906 204.8
[M-H]- 399.17256 203.8
[M+NH4]+ 418.21366 209.0
[M+K]+ 439.14300 202.0
[M+H-H2O]+ 383.17710 189.4
[M+HCOO]- 445.17804 216.3
[M+CH3COO]- 459.19369 228.6
[M+Na-2H]- 421.15451 197.9
[M]+ 400.17929 201.0
[M]- 400.18039 201.0
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