CID 165949887

Methyl 3-[(2s)-4-benzyl-3,6-dioxopiperazin-2-yl]propanoate

Structural Information

Molecular Formula
C15H18N2O4
SMILES
COC(=O)CC[C@H]1C(=O)N(CC(=O)N1)CC2=CC=CC=C2
InChI
InChI=1S/C15H18N2O4/c1-21-14(19)8-7-12-15(20)17(10-13(18)16-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,18)/t12-/m0/s1
InChIKey
XXDFNNZLDGGOSI-LBPRGKRZSA-N
Compound name
methyl 3-[(2S)-4-benzyl-3,6-dioxopiperazin-2-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.12665 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 168.0
[M+Na]+ 313.11587 178.9
[M+NH4]+ 308.16047 172.9
[M+K]+ 329.08981 173.6
[M-H]- 289.11937 168.4
[M+Na-2H]- 311.10132 172.0
[M]+ 290.12610 169.2
[M]- 290.12720 169.2
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.