CID 3070576

(+-)-1-(2-(6,11-dihydrodibenz(b,e)oxepin-6-yl)ethyl)piperidine hydrochloride

Structural Information

Molecular Formula
C21H25NO
SMILES
C1CCN(CC1)CCC2C3=CC=CC=C3CC4=CC=CC=C4O2
InChI
InChI=1S/C21H25NO/c1-6-13-22(14-7-1)15-12-21-19-10-4-2-8-17(19)16-18-9-3-5-11-20(18)23-21/h2-5,8-11,21H,1,6-7,12-16H2
InChIKey
OVMRDNQBWGJLQB-UHFFFAOYSA-N
Compound name
1-[2-(6,11-dihydrobenzo[c][1]benzoxepin-6-yl)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 172.9
[M+Na]+ 330.18282 176.3
[M-H]- 306.18632 179.8
[M+NH4]+ 325.22742 185.6
[M+K]+ 346.15676 175.1
[M+H-H2O]+ 290.19086 164.8
[M+HCOO]- 352.19180 186.4
[M+CH3COO]- 366.20745 181.7
[M+Na-2H]- 328.16827 177.7
[M]+ 307.19305 166.3
[M]- 307.19415 166.3
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.