CID 204794

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

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]+ 312.141676 172.2
[M+Na]+ 334.123618 176.5
[M-H]- 310.127124 177.7
[M+NH4]+ 329.168223 186.2
[M+K]+ 350.097558 174.4
[M+H-H2O]+ 294.131660 165.7
[M+HCOO]- 356.132601 181.2
[M+CH3COO]- 370.148251 180.8
[M+Na-2H]- 332.109066 174.3
[M]+ 311.13385142 165.6
[M]- 311.13494858 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.