CID 2935296

618079-99-5

Structural Information

Molecular Formula
C23H23FN2O4S
SMILES
CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NCC3=CC=CO3)OC4=CC=C(C=C4)F
InChI
InChI=1S/C23H23FN2O4S/c1-14(30-16-10-8-15(24)9-11-16)21(27)26-23-20(18-6-2-3-7-19(18)31-23)22(28)25-13-17-5-4-12-29-17/h4-5,8-12,14H,2-3,6-7,13H2,1H3,(H,25,28)(H,26,27)
InChIKey
FEYJMVOVKJGYEV-UHFFFAOYSA-N
Compound name
2-[2-(4-fluorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.13626 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.14354 202.8
[M+Na]+ 465.12548 211.0
[M+NH4]+ 460.17008 208.7
[M+K]+ 481.09942 207.4
[M-H]- 441.12898 207.8
[M+Na-2H]- 463.11093 207.2
[M]+ 442.13571 205.5
[M]- 442.13681 205.5
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

No patent data available for this compound.