CID 211278

22820-24-2

Structural Information

Molecular Formula
C18H29ClN2O3
SMILES
CCCN(CCN1CCOCC1)CC(COC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C18H29ClN2O3/c1-2-7-21(9-8-20-10-12-23-13-11-20)14-17(22)15-24-18-5-3-16(19)4-6-18/h3-6,17,22H,2,7-15H2,1H3
InChIKey
CIADKMAFCFZSSP-UHFFFAOYSA-N
Compound name
1-(4-chlorophenoxy)-3-[2-morpholin-4-ylethyl(propyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.18668 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19396 187.0
[M+Na]+ 379.17590 188.8
[M-H]- 355.17940 190.8
[M+NH4]+ 374.22050 197.0
[M+K]+ 395.14984 186.3
[M+H-H2O]+ 339.18394 177.8
[M+HCOO]- 401.18488 198.5
[M+CH3COO]- 415.20053 215.1
[M+Na-2H]- 377.16135 187.6
[M]+ 356.18613 189.2
[M]- 356.18723 189.2
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.