CID 204794

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

Structural Information

Molecular Formula
C19H21NOS
SMILES
C1CN(CCC1O)C2CC3=CC=CC=C3SC4=CC=CC=C24
InChI
InChI=1S/C19H21NOS/c21-15-9-11-20(12-10-15)17-13-14-5-1-3-7-18(14)22-19-8-4-2-6-16(17)19/h1-8,15,17,21H,9-13H2
InChIKey
GGZYNGLPYYBYHX-UHFFFAOYSA-N
Compound name
1-(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

311.1344 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14168 172.2
[M+Na]+ 334.12362 176.5
[M-H]- 310.12712 177.7
[M+NH4]+ 329.16822 186.2
[M+K]+ 350.09756 174.4
[M+H-H2O]+ 294.13166 165.7
[M+HCOO]- 356.13260 181.2
[M+CH3COO]- 370.14825 180.8
[M+Na-2H]- 332.10907 174.3
[M]+ 311.13385 165.6
[M]- 311.13495 165.6
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.