CID 59732116

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

Structural Information

Molecular Formula
C14H16N2O4
SMILES
COC(=O)C[C@H]1C(=O)N(CC(=O)N1)CC2=CC=CC=C2
InChI
InChI=1S/C14H16N2O4/c1-20-13(18)7-11-14(19)16(9-12(17)15-11)8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,17)/t11-/m0/s1
InChIKey
IVPUKGTXTIVOMB-NSHDSACASA-N
Compound name
methyl 2-[(2S)-4-benzyl-3,6-dioxopiperazin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

276.111 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 162.5
[M+Na]+ 299.10022 168.6
[M-H]- 275.10372 164.6
[M+NH4]+ 294.14482 174.8
[M+K]+ 315.07416 165.2
[M+H-H2O]+ 259.10826 153.7
[M+HCOO]- 321.10920 178.7
[M+CH3COO]- 335.12485 195.6
[M+Na-2H]- 297.08567 163.9
[M]+ 276.11045 160.5
[M]- 276.11155 160.5
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

patents stripe