CID 3077454

3-((4-phenyl-1-piperazinyl)methyl)oxazolo(4,5-b)pyridin-2(3h)-one

Structural Information

Molecular Formula
C17H18N4O2
SMILES
C1CN(CCN1CN2C3=C(C=CC=N3)OC2=O)C4=CC=CC=C4
InChI
InChI=1S/C17H18N4O2/c22-17-21(16-15(23-17)7-4-8-18-16)13-19-9-11-20(12-10-19)14-5-2-1-3-6-14/h1-8H,9-13H2
InChIKey
UJOCRAPCZVNLCW-UHFFFAOYSA-N
Compound name
3-[(4-phenylpiperazin-1-yl)methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

310.14297 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15025 172.1
[M+Na]+ 333.13219 181.0
[M-H]- 309.13569 178.0
[M+NH4]+ 328.17679 182.1
[M+K]+ 349.10613 176.0
[M+H-H2O]+ 293.14023 160.4
[M+HCOO]- 355.14117 188.4
[M+CH3COO]- 369.15682 182.3
[M+Na-2H]- 331.11764 176.5
[M]+ 310.14242 171.9
[M]- 310.14352 171.9
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.