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 185.3
[M+Na]+ 375.17912 192.7
[M-H]- 351.18262 190.6
[M+NH4]+ 370.22372 193.5
[M+K]+ 391.15306 187.1
[M+H-H2O]+ 335.18716 172.9
[M+HCOO]- 397.18810 200.5
[M+CH3COO]- 411.20375 194.1
[M+Na-2H]- 373.16457 188.1
[M]+ 352.18935 185.9
[M]- 352.19045 185.9
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.