CID 211284

22820-27-5

Structural Information

Molecular Formula
C16H24Cl2N2O3
SMILES
CN(CCN1CCOCC1)CC(COC2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C16H24Cl2N2O3/c1-19(4-5-20-6-8-22-9-7-20)11-14(21)12-23-16-3-2-13(17)10-15(16)18/h2-3,10,14,21H,4-9,11-12H2,1H3
InChIKey
NWMQSSZMYATRPX-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenoxy)-3-[methyl(2-morpholin-4-ylethyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1164 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12368 183.0
[M+Na]+ 385.10562 187.0
[M-H]- 361.10912 186.9
[M+NH4]+ 380.15022 193.6
[M+K]+ 401.07956 183.7
[M+H-H2O]+ 345.11366 175.2
[M+HCOO]- 407.11460 190.2
[M+CH3COO]- 421.13025 214.6
[M+Na-2H]- 383.09107 183.3
[M]+ 362.11585 186.2
[M]- 362.11695 186.2
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.