CID 3067371

(+-)-n,n-dimethyl-11h-dibenzo(b,e)(1,4)dioxepin-11-ethanamine

Structural Information

Molecular Formula
C17H19NO2
SMILES
CN(C)CCC1C2=CC=CC=C2OC3=CC=CC=C3O1
InChI
InChI=1S/C17H19NO2/c1-18(2)12-11-15-13-7-3-4-8-14(13)19-16-9-5-6-10-17(16)20-15/h3-10,15H,11-12H2,1-2H3
InChIKey
RSZJKYKKLWGKLP-UHFFFAOYSA-N
Compound name
2-(6H-benzo[b][1,4]benzodioxepin-6-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.14157 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 164.9
[M+Na]+ 292.13079 177.2
[M+NH4]+ 287.17539 173.5
[M+K]+ 308.10473 171.1
[M-H]- 268.13429 171.5
[M+Na-2H]- 290.11624 170.4
[M]+ 269.14102 168.8
[M]- 269.14212 168.8
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.