CID 213425

O-(2-dimethylaminoethoxy)phenyl p-chlorophenyl ether hydrochloride

Structural Information

Molecular Formula
C16H18ClNO2
SMILES
CN(C)CCOC1=CC=CC=C1OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H18ClNO2/c1-18(2)11-12-19-15-5-3-4-6-16(15)20-14-9-7-13(17)8-10-14/h3-10H,11-12H2,1-2H3
InChIKey
LZADXLBJOWWFSD-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenoxy)phenoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1026 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10988 166.1
[M+Na]+ 314.09182 173.7
[M-H]- 290.09532 174.0
[M+NH4]+ 309.13642 182.9
[M+K]+ 330.06576 169.9
[M+H-H2O]+ 274.09986 158.5
[M+HCOO]- 336.10080 187.2
[M+CH3COO]- 350.11645 206.3
[M+Na-2H]- 312.07727 170.7
[M]+ 291.10205 172.3
[M]- 291.10315 172.3
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.