CID 199778

10-(4-formylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin hydrogen maleate

Structural Information

Molecular Formula
C19H20N2OS
SMILES
C1CN(CCN1C=O)C2CC3=CC=CC=C3SC4=CC=CC=C24
InChI
InChI=1S/C19H20N2OS/c22-14-20-9-11-21(12-10-20)17-13-15-5-1-3-7-18(15)23-19-8-4-2-6-16(17)19/h1-8,14,17H,9-13H2
InChIKey
WRNVHPZHWTVDSS-UHFFFAOYSA-N
Compound name
4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

324.12964 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13692 176.2
[M+Na]+ 347.11886 188.6
[M+NH4]+ 342.16346 185.0
[M+K]+ 363.09280 179.1
[M-H]- 323.12236 180.8
[M+Na-2H]- 345.10431 182.5
[M]+ 324.12909 179.9
[M]- 324.13019 179.9
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