CID 208174

8-chloro-10-(3-dimethylaminopropoxy)dibenzo(b,f)thiepin hydrogen maleate

Structural Information

Molecular Formula
C19H20ClNOS
SMILES
CN(C)CCCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C19H20ClNOS/c1-21(2)10-5-11-22-17-12-14-6-3-4-7-18(14)23-19-9-8-15(20)13-16(17)19/h3-4,6-9,12-13H,5,10-11H2,1-2H3
InChIKey
AQRXPVZUIAPHEQ-UHFFFAOYSA-N
Compound name
3-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

345.0954 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.10268 175.7
[M+Na]+ 368.08462 189.0
[M+NH4]+ 363.12922 185.5
[M+K]+ 384.05856 178.9
[M-H]- 344.08812 180.8
[M+Na-2H]- 366.07007 182.8
[M]+ 345.09485 180.1
[M]- 345.09595 180.1
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

patents stripe