CID 3073123

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

Structural Information

Molecular Formula
C17H17ClN4O2
SMILES
C1CN(CCN1CN2C3=C(C=CC=N3)OC2=O)C4=CC=CC=C4Cl
InChI
InChI=1S/C17H17ClN4O2/c18-13-4-1-2-5-14(13)21-10-8-20(9-11-21)12-22-16-15(24-17(22)23)6-3-7-19-16/h1-7H,8-12H2
InChIKey
ICHILAZMLXDLLU-UHFFFAOYSA-N
Compound name
3-[[4-(2-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

1
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

patents stripe