CID 6865700

Cyclo(dehydrophenylalanyl-l-leucyl)

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CC(C)C[C@H]1C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)N1
InChI
InChI=1S/C15H18N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,16,19)(H,17,18)/b13-9-/t12-/m0/s1
InChIKey
JYJCBJDZVMKEFV-VWLVURMCSA-N
Compound name
(3Z,6S)-3-benzylidene-6-(2-methylpropyl)piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

258.13684 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 162.2
[M+Na]+ 281.12606 167.8
[M-H]- 257.12956 162.8
[M+NH4]+ 276.17066 174.8
[M+K]+ 297.10000 162.0
[M+H-H2O]+ 241.13410 154.0
[M+HCOO]- 303.13504 176.2
[M+CH3COO]- 317.15069 191.8
[M+Na-2H]- 279.11151 162.5
[M]+ 258.13629 155.9
[M]- 258.13739 155.9
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