CID 3256174

503865-00-7

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 190.3
[M-H]- 375.11842 191.2
[M+NH4]+ 394.15952 200.2
[M+K]+ 415.08886 185.7
[M+H-H2O]+ 359.12296 177.4
[M+HCOO]- 421.12390 200.9
[M+CH3COO]- 435.13955 219.9
[M+Na-2H]- 397.10037 184.4
[M]+ 376.12515 186.2
[M]- 376.12625 186.2
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

No patent data available for this compound.