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 179.8
[M+Na]+ 367.09322 190.0
[M-H]- 343.09672 185.6
[M+NH4]+ 362.13782 189.5
[M+K]+ 383.06716 183.9
[M+H-H2O]+ 327.10126 168.0
[M+HCOO]- 389.10220 191.1
[M+CH3COO]- 403.11785 189.7
[M+Na-2H]- 365.07867 182.7
[M]+ 344.10345 181.9
[M]- 344.10455 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.