CID 7076347

7280-77-5

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2
InChI
InChI=1S/C15H20N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,19)(H,17,18)/t12-,13-/m0/s1
InChIKey
QPDMOMIYLJMOQJ-STQMWFEESA-N
Compound name
(3S,6S)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

139
Patents

260.15247 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 163.5
[M+Na]+ 283.14169 174.8
[M+NH4]+ 278.18629 169.6
[M+K]+ 299.11563 168.8
[M-H]- 259.14519 164.7
[M+Na-2H]- 281.12714 167.9
[M]+ 260.15192 165.1
[M]- 260.15302 165.1
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