CID 3065807

Piperidine, 4-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-1-methyl-, maleate (1:1)

Structural Information

Molecular Formula
C20H23NOS
SMILES
CN1CCC(CC1)OC2C3=CC=CC=C3CSC4=CC=CC=C24
InChI
InChI=1S/C20H23NOS/c1-21-12-10-16(11-13-21)22-20-17-7-3-2-6-15(17)14-23-19-9-5-4-8-18(19)20/h2-9,16,20H,10-14H2,1H3
InChIKey
YOAORJGYOFRIRQ-UHFFFAOYSA-N
Compound name
4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.15002 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.15730 176.6
[M+Na]+ 348.13924 180.9
[M-H]- 324.14274 183.2
[M+NH4]+ 343.18384 190.7
[M+K]+ 364.11318 179.3
[M+H-H2O]+ 308.14728 169.5
[M+HCOO]- 370.14822 186.7
[M+CH3COO]- 384.16387 185.4
[M+Na-2H]- 346.12469 178.4
[M]+ 325.14947 171.9
[M]- 325.15057 171.9
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

No patent data available for this compound.