CID 3088230

N-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-4-morpholineacetamide monohydrochloride

Structural Information

Molecular Formula
C20H22N2O2S
SMILES
C1COCCN1CC(=O)NC2C3=CC=CC=C3CSC4=CC=CC=C24
InChI
InChI=1S/C20H22N2O2S/c23-19(13-22-9-11-24-12-10-22)21-20-16-6-2-1-5-15(16)14-25-18-8-4-3-7-17(18)20/h1-8,20H,9-14H2,(H,21,23)
InChIKey
JJJDHOBZVVJKOY-UHFFFAOYSA-N
Compound name
N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1402 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14748 181.1
[M+Na]+ 377.12942 183.8
[M-H]- 353.13292 187.9
[M+NH4]+ 372.17402 192.1
[M+K]+ 393.10336 184.0
[M+H-H2O]+ 337.13746 173.4
[M+HCOO]- 399.13840 190.8
[M+CH3COO]- 413.15405 189.0
[M+Na-2H]- 375.11487 184.2
[M]+ 354.13965 176.0
[M]- 354.14075 176.0
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.