CID 7076347

Cyclo(l-leucyl-l-phenylalanyl)

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

84
Patents

260.15247 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.159746 163.1
[M+Na]+ 283.141688 168.4
[M-H]- 259.145194 163.6
[M+NH4]+ 278.186293 175.6
[M+K]+ 299.115628 163.1
[M+H-H2O]+ 243.149730 154.8
[M+HCOO]- 305.150671 176.9
[M+CH3COO]- 319.166321 193.3
[M+Na-2H]- 281.127136 163.4
[M]+ 260.15192142 157.6
[M]- 260.15301858 157.6
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