CID 209471

1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-piperidinol maleate

Structural Information

Molecular Formula
C19H20ClNOS
SMILES
C1CN(CCC1O)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C19H20ClNOS/c20-14-5-6-19-16(12-14)17(21-9-7-15(22)8-10-21)11-13-3-1-2-4-18(13)23-19/h1-6,12,15,17,22H,7-11H2
InChIKey
KYBMVRKSTYTRGR-UHFFFAOYSA-N
Compound name
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.0954 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.10268 176.9
[M+Na]+ 368.08462 190.2
[M+NH4]+ 363.12922 186.7
[M+K]+ 384.05856 180.2
[M-H]- 344.08812 182.2
[M+Na-2H]- 366.07007 183.2
[M]+ 345.09485 181.3
[M]- 345.09595 181.3
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.