CID 10452602

Schembl2846114

Structural Information

Molecular Formula
C22H25FN2O3
SMILES
CC(C)NC1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)OC(C)C
InChI
InChI=1S/C22H25FN2O3/c1-12(2)25-17-11-18-16(10-19(17)27-13(3)4)20(22(26)24-5)21(28-18)14-6-8-15(23)9-7-14/h6-13,25H,1-5H3,(H,24,26)
InChIKey
CAINDNYQVGBZGJ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-6-(propan-2-ylamino)-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

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19218 195.3
[M+Na]+ 407.17412 202.6
[M-H]- 383.17762 203.1
[M+NH4]+ 402.21872 208.3
[M+K]+ 423.14806 199.8
[M+H-H2O]+ 367.18216 186.4
[M+HCOO]- 429.18310 216.6
[M+CH3COO]- 443.19875 229.4
[M+Na-2H]- 405.15957 194.4
[M]+ 384.18435 199.9
[M]- 384.18545 199.9
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