CID 3049298

1-piperazineethanol, 4-((5-(3,4-dichlorophenyl)-2-oxazolyl)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C16H19Cl2N3O2
SMILES
C1CN(CCN1CCO)CC2=NC=C(O2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H19Cl2N3O2/c17-13-2-1-12(9-14(13)18)15-10-19-16(23-15)11-21-5-3-20(4-6-21)7-8-22/h1-2,9-10,22H,3-8,11H2
InChIKey
XPSVWYWEDHQOOH-UHFFFAOYSA-N
Compound name
2-[4-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

355.08542 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.09270 181.9
[M+Na]+ 378.07464 189.7
[M-H]- 354.07814 185.5
[M+NH4]+ 373.11924 191.6
[M+K]+ 394.04858 183.6
[M+H-H2O]+ 338.08268 171.8
[M+HCOO]- 400.08362 187.1
[M+CH3COO]- 414.09927 190.5
[M+Na-2H]- 376.06009 180.9
[M]+ 355.08487 183.1
[M]- 355.08597 183.1
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

patents stripe