CID 216603

5-(2-dimethylaminoethoxy)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride

Structural Information

Molecular Formula
C14H20ClNO2
SMILES
CN(C)CCOC1CCCOC2=C1C=CC(=C2)Cl
InChI
InChI=1S/C14H20ClNO2/c1-16(2)7-9-18-13-4-3-8-17-14-10-11(15)5-6-12(13)14/h5-6,10,13H,3-4,7-9H2,1-2H3
InChIKey
GETIBBOHOQLYNQ-UHFFFAOYSA-N
Compound name
2-[(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)oxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.11826 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12554 158.8
[M+Na]+ 292.10748 169.6
[M+NH4]+ 287.15208 167.1
[M+K]+ 308.08142 164.0
[M-H]- 268.11098 163.2
[M+Na-2H]- 290.09293 163.9
[M]+ 269.11771 161.9
[M]- 269.11881 161.9
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.