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 159.6
[M+Na]+ 292.13079 165.6
[M-H]- 268.13429 168.4
[M+NH4]+ 287.17539 175.0
[M+K]+ 308.10473 168.9
[M+H-H2O]+ 252.13883 153.9
[M+HCOO]- 314.13977 179.3
[M+CH3COO]- 328.15542 171.7
[M+Na-2H]- 290.11624 168.0
[M]+ 269.14102 160.5
[M]- 269.14212 160.5
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.