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

2
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

literature stripe

Patent stripe

patents stripe