CID 2814949

Ccg-47657

Structural Information

Molecular Formula
C17H20N4O3
SMILES
CC1=CC(=NO1)NC(=O)CC2C(=O)N(CCN2)CC3=CC=CC=C3
InChI
InChI=1S/C17H20N4O3/c1-12-9-15(20-24-12)19-16(22)10-14-17(23)21(8-7-18-14)11-13-5-3-2-4-6-13/h2-6,9,14,18H,7-8,10-11H2,1H3,(H,19,20,22)
InChIKey
DWDKRYCZEGASCE-UHFFFAOYSA-N
Compound name
2-(4-benzyl-3-oxopiperazin-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

328.15353 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.160806 178.1
[M+Na]+ 351.142748 183.1
[M-H]- 327.146254 182.8
[M+NH4]+ 346.187353 186.7
[M+K]+ 367.116688 179.1
[M+H-H2O]+ 311.150790 167.5
[M+HCOO]- 373.151731 193.8
[M+CH3COO]- 387.167381 207.2
[M+Na-2H]- 349.128196 178.6
[M]+ 328.15298142 175.0
[M]- 328.15407858 175.0
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

No patent data available for this compound.