CID 3256174

N-ethyl-2-[2-(2-fluorophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Structural Information

Molecular Formula
C19H21FN2O3S
SMILES
CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=CC=C3F
InChI
InChI=1S/C19H21FN2O3S/c1-2-21-18(24)17-12-7-3-6-10-15(12)26-19(17)22-16(23)11-25-14-9-5-4-8-13(14)20/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKey
RCKDPFGWLPRVMM-UHFFFAOYSA-N
Compound name
N-ethyl-2-[[2-(2-fluorophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1257 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.13298 185.8
[M+Na]+ 399.11492 193.5
[M+NH4]+ 394.15952 192.3
[M+K]+ 415.08886 187.5
[M-H]- 375.11842 188.2
[M+Na-2H]- 397.10037 189.4
[M]+ 376.12515 187.6
[M]- 376.12625 187.6
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.