CID 3066934

1-(2,4-dimethylallophanoyl)-4-phenylpiperazine

Structural Information

Molecular Formula

C₁₄H₂₀N₄O₂

SMILES

CNC(=O)N(C)C(=O)N1CCN(CC1)C2=CC=CC=C2

InChI

InChI=1S/C14H20N4O2/c1-15-13(19)16(2)14(20)18-10-8-17(9-11-18)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,15,19)

InChIKey

GLQHCAAZRUCUKS-UHFFFAOYSA-N

Compound name

N-methyl-N-(methylcarbamoyl)-4-phenylpiperazine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 276.15863 Da
Monoisotopic Mass: 1.5
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]+	277.165906	165.3
[M+Na]+	299.147848	168.4
[M-H]-	275.151354	169.7
[M+NH4]+	294.192453	178.1
[M+K]+	315.121788	167.1
[M+H-H2O]+	259.155890	155.5
[M+HCOO]-	321.156831	184.2
[M+CH3COO]-	335.172481	204.5
[M+Na-2H]-	297.133296	167.8
[M]+	276.15808142	161.3
[M]-	276.15917858	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe