CID 45792473

Benzyl n-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]carbamate

Structural Information

Molecular Formula
C15H19N3O4
SMILES
CC(C(=O)N1CCNC(=O)C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H19N3O4/c1-11(14(20)18-8-7-16-13(19)9-18)17-15(21)22-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,19)(H,17,21)
InChIKey
MRAXFRZZXXZOSZ-UHFFFAOYSA-N
Compound name
benzyl N-[1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.13754 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14482 170.5
[M+Na]+ 328.12676 173.0
[M-H]- 304.13026 171.9
[M+NH4]+ 323.17136 180.6
[M+K]+ 344.10070 170.4
[M+H-H2O]+ 288.13480 161.1
[M+HCOO]- 350.13574 185.5
[M+CH3COO]- 364.15139 201.8
[M+Na-2H]- 326.11221 171.2
[M]+ 305.13699 166.0
[M]- 305.13809 166.0
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

No patent data available for this compound.