CID 3049294

4-((5-phenyl-2-oxazolyl)methyl)-1-piperazineethanol dihydrochloride

Structural Information

Molecular Formula
C16H21N3O2
SMILES
C1CN(CCN1CCO)CC2=NC=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C16H21N3O2/c20-11-10-18-6-8-19(9-7-18)13-16-17-12-15(21-16)14-4-2-1-3-5-14/h1-5,12,20H,6-11,13H2
InChIKey
RKQNIKJSWJUXTO-UHFFFAOYSA-N
Compound name
2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

287.1634 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 168.0
[M+Na]+ 310.15262 173.3
[M-H]- 286.15612 172.2
[M+NH4]+ 305.19722 178.6
[M+K]+ 326.12656 169.6
[M+H-H2O]+ 270.16066 157.5
[M+HCOO]- 332.16160 183.4
[M+CH3COO]- 346.17725 177.4
[M+Na-2H]- 308.13807 170.1
[M]+ 287.16285 165.5
[M]- 287.16395 165.5
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

patents stripe