CID 2792074

Brn 5619311

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]+ 367.16860 186.5
[M+Na]+ 389.15054 189.3
[M-H]- 365.15404 191.7
[M+NH4]+ 384.19514 198.9
[M+K]+ 405.12448 187.4
[M+H-H2O]+ 349.15858 179.2
[M+HCOO]- 411.15952 196.0
[M+CH3COO]- 425.17517 215.4
[M+Na-2H]- 387.13599 183.4
[M]+ 366.16077 186.5
[M]- 366.16187 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.