CID 2792074

76981-93-6

Structural Information

Molecular Formula
C18H26N2O4S
SMILES
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3CCOCC3
InChI
InChI=1S/C18H26N2O4S/c1-3-24-18(22)16-13-5-4-12(2)10-14(13)25-17(16)19-15(21)11-20-6-8-23-9-7-20/h12H,3-11H2,1-2H3,(H,19,21)
InChIKey
OIUCVSKUIBLACK-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.16132 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.168596 186.5
[M+Na]+ 389.150538 189.3
[M-H]- 365.154044 191.7
[M+NH4]+ 384.195143 198.9
[M+K]+ 405.124478 187.4
[M+H-H2O]+ 349.158580 179.2
[M+HCOO]- 411.159521 196.0
[M+CH3COO]- 425.175171 215.4
[M+Na-2H]- 387.135986 183.4
[M]+ 366.16077142 186.5
[M]- 366.16186858 186.5
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.