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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	306.144816	170.5
[M+Na]+	328.126758	173.0
[M-H]-	304.130264	171.9
[M+NH4]+	323.171363	180.6
[M+K]+	344.100698	170.4
[M+H-H2O]+	288.134800	161.1
[M+HCOO]-	350.135741	185.5
[M+CH3COO]-	364.151391	201.8
[M+Na-2H]-	326.112206	171.2
[M]+	305.13699142	166.0
[M]-	305.13808858	166.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.