CID 56462

2(3h)-benzoxazolone, 6-(2-(4-(2-pyrimidinyl)-1-piperazinyl)ethyl)-

Structural Information

Molecular Formula
C17H19N5O2
SMILES
C1CN(CCN1CCC2=CC3=C(C=C2)NC(=O)O3)C4=NC=CC=N4
InChI
InChI=1S/C17H19N5O2/c23-17-20-14-3-2-13(12-15(14)24-17)4-7-21-8-10-22(11-9-21)16-18-5-1-6-19-16/h1-3,5-6,12H,4,7-11H2,(H,20,23)
InChIKey
MOXQFMDKLIOMOV-UHFFFAOYSA-N
Compound name
6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.15387 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16115 176.4
[M+Na]+ 348.14309 191.7
[M+NH4]+ 343.18769 182.4
[M+K]+ 364.11703 186.6
[M-H]- 324.14659 180.6
[M+Na-2H]- 346.12854 183.7
[M]+ 325.15332 179.7
[M]- 325.15442 179.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.