CID 3073122

Oxazolo(4,5-b)pyridin-2(3h)-one, 3-((4-(3-chlorophenyl)-1-piperazinyl)methyl)-

Structural Information

Molecular Formula
C17H17ClN4O2
SMILES
C1CN(CCN1CN2C3=C(C=CC=N3)OC2=O)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C17H17ClN4O2/c18-13-3-1-4-14(11-13)21-9-7-20(8-10-21)12-22-16-15(24-17(22)23)5-2-6-19-16/h1-6,11H,7-10,12H2
InChIKey
AQCJADZLKCFISG-UHFFFAOYSA-N
Compound name
3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.104 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11128 178.0
[M+Na]+ 367.09322 195.3
[M+NH4]+ 362.13782 185.5
[M+K]+ 383.06716 188.8
[M-H]- 343.09672 183.7
[M+Na-2H]- 365.07867 186.2
[M]+ 344.10345 182.5
[M]- 344.10455 182.5
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

No patent data available for this compound.