CID 213392

26321-22-2

Structural Information

Molecular Formula
C17H20ClNO3
SMILES
CN(C)CC(COC1=CC=CC=C1OC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C17H20ClNO3/c1-19(2)11-14(20)12-21-16-5-3-4-6-17(16)22-15-9-7-13(18)8-10-15/h3-10,14,20H,11-12H2,1-2H3
InChIKey
NKQUEOQSWVNKNY-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenoxy)phenoxy]-3-(dimethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.11316 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12044 173.4
[M+Na]+ 344.10238 179.7
[M-H]- 320.10588 179.8
[M+NH4]+ 339.14698 188.1
[M+K]+ 360.07632 176.1
[M+H-H2O]+ 304.11042 165.9
[M+HCOO]- 366.11136 192.0
[M+CH3COO]- 380.12701 209.7
[M+Na-2H]- 342.08783 176.0
[M]+ 321.11261 179.0
[M]- 321.11371 179.0
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.