CID 3035655

S 12813

Structural Information

Molecular Formula
C18H20N4O2
SMILES
C1CN(CCN1CCN2C3=C(C=CC=N3)OC2=O)C4=CC=CC=C4
InChI
InChI=1S/C18H20N4O2/c23-18-22(17-16(24-18)7-4-8-19-17)14-11-20-9-12-21(13-10-20)15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKey
KVIFRYUROZAMHI-UHFFFAOYSA-N
Compound name
3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

324.15863 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16591 176.1
[M+Na]+ 347.14785 192.0
[M+NH4]+ 342.19245 183.2
[M+K]+ 363.12179 186.0
[M-H]- 323.15135 181.7
[M+Na-2H]- 345.13330 184.3
[M]+ 324.15808 180.0
[M]- 324.15918 180.0
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