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]+ 345.111276 179.8
[M+Na]+ 367.093218 190.0
[M-H]- 343.096724 185.6
[M+NH4]+ 362.137823 189.5
[M+K]+ 383.067158 183.9
[M+H-H2O]+ 327.101260 168.0
[M+HCOO]- 389.102201 191.1
[M+CH3COO]- 403.117851 189.7
[M+Na-2H]- 365.078666 182.7
[M]+ 344.10345142 181.9
[M]- 344.10454858 181.9
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

No patent data available for this compound.