CID 3065807

Vufb-15600

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 176.1
[M+Na]+ 348.13924 188.6
[M+NH4]+ 343.18384 185.9
[M+K]+ 364.11318 178.8
[M-H]- 324.14274 181.8
[M+Na-2H]- 346.12469 182.8
[M]+ 325.14947 180.2
[M]- 325.15057 180.2
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.