CID 211268

22820-19-5

Structural Information

Molecular Formula
C17H27ClN2O3
SMILES
CCN(CCN1CCOCC1)CC(COC2=CC=CC=C2Cl)O
InChI
InChI=1S/C17H27ClN2O3/c1-2-19(7-8-20-9-11-22-12-10-20)13-15(21)14-23-17-6-4-3-5-16(17)18/h3-6,15,21H,2,7-14H2,1H3
InChIKey
KUHXGJLGWNKXOZ-UHFFFAOYSA-N
Compound name
1-(2-chlorophenoxy)-3-[ethyl(2-morpholin-4-ylethyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.17102 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.17830 182.5
[M+Na]+ 365.16024 184.7
[M-H]- 341.16374 186.5
[M+NH4]+ 360.20484 193.0
[M+K]+ 381.13418 182.4
[M+H-H2O]+ 325.16828 173.5
[M+HCOO]- 387.16922 194.3
[M+CH3COO]- 401.18487 212.2
[M+Na-2H]- 363.14569 183.6
[M]+ 342.17047 184.3
[M]- 342.17157 184.3
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.