CID 3067383

81320-48-1

Structural Information

Molecular Formula
C17H17Cl2NO2
SMILES
CN(C)CCC1C2=CC=CC=C2OC3=CC(=C(C=C3O1)Cl)Cl
InChI
InChI=1S/C17H17Cl2NO2/c1-20(2)8-7-15-11-5-3-4-6-14(11)21-16-9-12(18)13(19)10-17(16)22-15/h3-6,9-10,15H,7-8H2,1-2H3
InChIKey
MNBCMRZYZPGJJZ-UHFFFAOYSA-N
Compound name
2-(2,3-dichloro-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

337.06363 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.07091 176.4
[M+Na]+ 360.05285 190.6
[M+NH4]+ 355.09745 185.3
[M+K]+ 376.02679 183.2
[M-H]- 336.05635 182.9
[M+Na-2H]- 358.03830 181.4
[M]+ 337.06308 181.1
[M]- 337.06418 181.1
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.