CID 3077456

Oxazolo(4,5-b)pyridin-2(3h)-one, 3-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-

Structural Information

Molecular Formula
C19H22N4O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCN3C4=C(C=CC=N4)OC3=O
InChI
InChI=1S/C19H22N4O3/c1-25-16-6-3-2-5-15(16)22-12-9-21(10-13-22)11-14-23-18-17(26-19(23)24)7-4-8-20-18/h2-8H,9-14H2,1H3
InChIKey
GGWAZHXICFOBJX-UHFFFAOYSA-N
Compound name
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

354.1692 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.17648 184.1
[M+Na]+ 377.15842 199.6
[M+NH4]+ 372.20302 190.4
[M+K]+ 393.13236 194.2
[M-H]- 353.16192 189.2
[M+Na-2H]- 375.14387 191.3
[M]+ 354.16865 187.8
[M]- 354.16975 187.8
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