CID 3066943

80712-20-5

Structural Information

Molecular Formula

C₁₅H₂₂N₄O₂

SMILES

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

InChI

InChI=1S/C15H22N4O2/c1-16(2)14(20)17(3)15(21)19-11-9-18(10-12-19)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3

InChIKey

QYQUDEKBSAGBSC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 290.1743 Da
Monoisotopic Mass: 1.1
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]+	291.181576	169.2
[M+Na]+	313.163518	172.0
[M-H]-	289.167024	174.9
[M+NH4]+	308.208123	182.1
[M+K]+	329.137458	171.9
[M+H-H2O]+	273.171560	159.1
[M+HCOO]-	335.172501	188.3
[M+CH3COO]-	349.188151	210.9
[M+Na-2H]-	311.148966	170.5
[M]+	290.17375142	166.9
[M]-	290.17484858	166.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe