CID 213435

O-(3-dimethylaminopropoxy)phenyl o-chlorophenyl ether hydrochloride

Structural Information

Molecular Formula
C17H20ClNO2
SMILES
CN(C)CCCOC1=CC=CC=C1OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H20ClNO2/c1-19(2)12-5-13-20-16-6-3-4-7-17(16)21-15-10-8-14(18)9-11-15/h3-4,6-11H,5,12-13H2,1-2H3
InChIKey
DDUFYHICIWUIEL-UHFFFAOYSA-N
Compound name
3-[2-(4-chlorophenoxy)phenoxy]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.11826 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12554 170.6
[M+Na]+ 328.10748 185.5
[M+NH4]+ 323.15208 179.6
[M+K]+ 344.08142 176.4
[M-H]- 304.11098 176.3
[M+Na-2H]- 326.09293 180.2
[M]+ 305.11771 174.8
[M]- 305.11881 174.8
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.

Patent stripe

No patent data available for this compound.