CID 15645951

149648-71-5

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CCOC(=O)C1C(=O)N(CCN1)CC2=CC=CC=C2
InChI
InChI=1S/C14H18N2O3/c1-2-19-14(18)12-13(17)16(9-8-15-12)10-11-6-4-3-5-7-11/h3-7,12,15H,2,8-10H2,1H3
InChIKey
UOGGRRXSCOBDRB-UHFFFAOYSA-N
Compound name
ethyl 4-benzyl-3-oxopiperazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

262.13174 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 161.2
[M+Na]+ 285.12096 166.3
[M-H]- 261.12446 162.9
[M+NH4]+ 280.16556 174.0
[M+K]+ 301.09490 162.7
[M+H-H2O]+ 245.12900 152.2
[M+HCOO]- 307.12994 177.0
[M+CH3COO]- 321.14559 192.9
[M+Na-2H]- 283.10641 163.2
[M]+ 262.13119 158.0
[M]- 262.13229 158.0
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