CID 3049296

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

Structural Information

Molecular Formula
C16H20FN3O2
SMILES
C1CN(CCN1CCO)CC2=NC=C(O2)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H20FN3O2/c17-14-3-1-13(2-4-14)15-11-18-16(22-15)12-20-7-5-19(6-8-20)9-10-21/h1-4,11,21H,5-10,12H2
InChIKey
PDWAHZYCSNXQFR-UHFFFAOYSA-N
Compound name
2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

305.15396 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.16124 171.5
[M+Na]+ 328.14318 177.8
[M-H]- 304.14668 174.7
[M+NH4]+ 323.18778 181.7
[M+K]+ 344.11712 173.6
[M+H-H2O]+ 288.15122 160.2
[M+HCOO]- 350.15216 185.9
[M+CH3COO]- 364.16781 180.7
[M+Na-2H]- 326.12863 172.2
[M]+ 305.15341 168.4
[M]- 305.15451 168.4
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