CID 204796

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

Structural Information

Molecular Formula
C20H23NS
SMILES
CN1CCC(CC1)C2CC3=CC=CC=C3SC4=CC=CC=C24
InChI
InChI=1S/C20H23NS/c1-21-12-10-15(11-13-21)18-14-16-6-2-4-8-19(16)22-20-9-5-3-7-17(18)20/h2-9,15,18H,10-14H2,1H3
InChIKey
FTGMOEQYMGJNJN-UHFFFAOYSA-N
Compound name
4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.15512 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.162396 173.2
[M+Na]+ 332.144338 177.7
[M-H]- 308.147844 179.8
[M+NH4]+ 327.188943 188.0
[M+K]+ 348.118278 175.4
[M+H-H2O]+ 292.152380 166.3
[M+HCOO]- 354.153321 183.1
[M+CH3COO]- 368.168971 182.1
[M+Na-2H]- 330.129786 174.8
[M]+ 309.15457142 167.1
[M]- 309.15566858 167.1
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

No patent data available for this compound.