CID 210510

21269-35-2

Structural Information

Molecular Formula
C16H25ClN2O3
SMILES
CN(CCN1CCOCC1)CC(COC2=CC=CC=C2Cl)O
InChI
InChI=1S/C16H25ClN2O3/c1-18(6-7-19-8-10-21-11-9-19)12-14(20)13-22-16-5-3-2-4-15(16)17/h2-5,14,20H,6-13H2,1H3
InChIKey
CPNRZMFGJCGVMW-UHFFFAOYSA-N
Compound name
1-(2-chlorophenoxy)-3-[methyl(2-morpholin-4-ylethyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.15536 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16264 178.0
[M+Na]+ 351.14458 180.6
[M-H]- 327.14808 182.1
[M+NH4]+ 346.18918 189.1
[M+K]+ 367.11852 178.6
[M+H-H2O]+ 311.15262 169.2
[M+HCOO]- 373.15356 190.1
[M+CH3COO]- 387.16921 209.3
[M+Na-2H]- 349.13003 179.6
[M]+ 328.15481 179.5
[M]- 328.15591 179.5
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.