CID 211290

22820-30-0

Structural Information

Molecular Formula
C18H28Cl2N2O3
SMILES
CC(C)N(CCN1CCOCC1)CC(COC2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C18H28Cl2N2O3/c1-14(2)22(6-5-21-7-9-24-10-8-21)12-16(23)13-25-18-4-3-15(19)11-17(18)20/h3-4,11,14,16,23H,5-10,12-13H2,1-2H3
InChIKey
DLSSYXNMOPNCBD-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenoxy)-3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1477 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15498 191.5
[M+Na]+ 413.13692 194.4
[M-H]- 389.14042 195.2
[M+NH4]+ 408.18152 200.9
[M+K]+ 429.11086 191.2
[M+H-H2O]+ 373.14496 183.6
[M+HCOO]- 435.14590 197.1
[M+CH3COO]- 449.16155 221.3
[M+Na-2H]- 411.12237 189.7
[M]+ 390.14715 194.9
[M]- 390.14825 194.9
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.