CID 203769

4-(2-dimethylaminoethoxy)-4,9-dihydrothieno(2,3-b)benzo(e)thiepin hydrogen fumarate

Structural Information

Molecular Formula
C16H19NOS2
SMILES
CN(C)CCOC1C2=C(SCC3=CC=CC=C13)SC=C2
InChI
InChI=1S/C16H19NOS2/c1-17(2)8-9-18-15-13-6-4-3-5-12(13)11-20-16-14(15)7-10-19-16/h3-7,10,15H,8-9,11H2,1-2H3
InChIKey
FZWBUUSOJVWBHP-UHFFFAOYSA-N
Compound name
2-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yloxy)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.09082 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.09810 165.7
[M+Na]+ 328.08004 174.9
[M+NH4]+ 323.12464 175.4
[M+K]+ 344.05398 166.9
[M-H]- 304.08354 169.8
[M+Na-2H]- 326.06549 170.3
[M]+ 305.09027 169.2
[M]- 305.09137 169.2
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.