CID 16073282

Schembl2845046

Structural Information

Molecular Formula
C23H25FN2O3S
SMILES
CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)N4CCSCC4
InChI
InChI=1S/C23H25FN2O3S/c1-14(2)28-20-12-17-19(13-18(20)26-8-10-30-11-9-26)29-22(21(17)23(27)25-3)15-4-6-16(24)7-5-15/h4-7,12-14H,8-11H2,1-3H3,(H,25,27)
InChIKey
BMZSDKDDQBLOHO-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6-thiomorpholin-4-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

428.15698 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.16426 201.6
[M+Na]+ 451.14620 208.3
[M-H]- 427.14970 210.3
[M+NH4]+ 446.19080 211.9
[M+K]+ 467.12014 204.0
[M+H-H2O]+ 411.15424 192.1
[M+HCOO]- 473.15518 213.7
[M+CH3COO]- 487.17083 210.3
[M+Na-2H]- 449.13165 198.7
[M]+ 428.15643 204.2
[M]- 428.15753 204.2
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