CID 382819

146529-61-5

Structural Information

Molecular Formula
C20H24N4O2
SMILES
C1CN(CCN1CCCCN2C3=C(C=CC=N3)OC2=O)C4=CC=CC=C4
InChI
InChI=1S/C20H24N4O2/c25-20-24(19-18(26-20)9-6-10-21-19)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
GCOPOUOKRHYMGX-UHFFFAOYSA-N
Compound name
3-[4-(4-phenylpiperazin-1-yl)butyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.