CID 216578

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

Structural Information

Molecular Formula
C20H24ClNO2
SMILES
CN(C)CCOC1(CCCOC2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C20H24ClNO2/c1-22(2)12-14-24-20(16-7-4-3-5-8-16)11-6-13-23-19-15-17(21)9-10-18(19)20/h3-5,7-10,15H,6,11-14H2,1-2H3
InChIKey
HWKQBMARDYIXRE-UHFFFAOYSA-N
Compound name
2-[(8-chloro-5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-yl)oxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.14957 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15685 181.1
[M+Na]+ 368.13879 193.6
[M+NH4]+ 363.18339 190.9
[M+K]+ 384.11273 184.5
[M-H]- 344.14229 187.9
[M+Na-2H]- 366.12424 189.7
[M]+ 345.14902 185.5
[M]- 345.15012 185.5
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.