CID 3066930

1-(4-methylallophanoyl)-4-(o-tolyl)piperazine

Structural Information

Molecular Formula

C₁₄H₂₀N₄O₂

SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)NC(=O)NC

InChI

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

InChIKey

ORJZXZPYURECRK-UHFFFAOYSA-N

Compound name

N-(methylcarbamoyl)-4-(2-methylphenyl)piperazine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 276.15863 Da
Monoisotopic Mass: 1.7
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	166.0
[M+Na]+	299.147848	169.9
[M-H]-	275.151354	169.3
[M+NH4]+	294.192453	178.5
[M+K]+	315.121788	167.2
[M+H-H2O]+	259.155890	156.6
[M+HCOO]-	321.156831	184.4
[M+CH3COO]-	335.172481	202.4
[M+Na-2H]-	297.133296	168.4
[M]+	276.15808142	161.1
[M]-	276.15917858	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.