CID 3068922

8-chloro-2-fluoro-6-(1-methyl-4-piperidyl)-6h-dibenz(b,e)-1,4-oxathiepin hydrogen maleate

Structural Information

Molecular Formula
C19H19ClFNOS
SMILES
CN1CCC(CC1)C2C3=C(C=CC(=C3)Cl)SC4=C(O2)C=CC(=C4)F
InChI
InChI=1S/C19H19ClFNOS/c1-22-8-6-12(7-9-22)19-15-10-13(20)2-5-17(15)24-18-11-14(21)3-4-16(18)23-19/h2-5,10-12,19H,6-9H2,1H3
InChIKey
BUIDXHSDSWIKTB-UHFFFAOYSA-N
Compound name
4-(8-chloro-2-fluoro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.086 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.09328 181.0
[M+Na]+ 386.07522 194.3
[M+NH4]+ 381.11982 190.1
[M+K]+ 402.04916 184.6
[M-H]- 362.07872 186.4
[M+Na-2H]- 384.06067 186.2
[M]+ 363.08545 185.4
[M]- 363.08655 185.4
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.

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No patent data available for this compound.