CID 210957

Rmi 61063

Structural Information

Molecular Formula
C20H22N2O
SMILES
CCN1CCN(CC1)C2=CC3=CC=CC=C3OC4=CC=CC=C42
InChI
InChI=1S/C20H22N2O/c1-2-21-11-13-22(14-12-21)18-15-16-7-3-5-9-19(16)23-20-10-6-4-8-17(18)20/h3-10,15H,2,11-14H2,1H3
InChIKey
TZNQMGNBOKXNIM-UHFFFAOYSA-N
Compound name
1-benzo[b][1]benzoxepin-5-yl-4-ethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17322 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 177.6
[M+Na]+ 329.16244 191.5
[M+NH4]+ 324.20704 186.1
[M+K]+ 345.13638 183.6
[M-H]- 305.16594 183.7
[M+Na-2H]- 327.14789 184.2
[M]+ 306.17267 181.6
[M]- 306.17377 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.