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 166.9
[M+Na]+ 313.11587 172.6
[M-H]- 289.11937 168.8
[M+NH4]+ 308.16047 178.6
[M+K]+ 329.08981 168.9
[M+H-H2O]+ 273.12391 157.9
[M+HCOO]- 335.12485 182.8
[M+CH3COO]- 349.14050 198.6
[M+Na-2H]- 311.10132 167.9
[M]+ 290.12610 165.3
[M]- 290.12720 165.3
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.