CID 3072499

Oxazolo(5,4-b)pyridin-2(1h)-one, 1-(4-(4-phenyl-1-piperazinyl)butyl)-

Structural Information

Molecular Formula
C20H24N4O2
SMILES
C1CN(CCN1CCCCN2C3=C(N=CC=C3)OC2=O)C4=CC=CC=C4
InChI
InChI=1S/C20H24N4O2/c25-20-24(18-9-6-10-21-19(18)26-20)12-5-4-11-22-13-15-23(16-14-22)17-7-2-1-3-8-17/h1-3,6-10H,4-5,11-16H2
InChIKey
GYRCQIYMEWZSFZ-UHFFFAOYSA-N
Compound name
1-[4-(4-phenylpiperazin-1-yl)butyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

352.1899 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 185.1
[M+Na]+ 375.17912 200.6
[M+NH4]+ 370.22372 191.8
[M+K]+ 391.15306 194.1
[M-H]- 351.18262 190.5
[M+Na-2H]- 373.16457 192.7
[M]+ 352.18935 188.9
[M]- 352.19045 188.9
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