CID 3052

Diethylcarbamazine

Structural Information

Molecular Formula

C₁₀H₂₁N₃O

SMILES

CCN(CC)C(=O)N1CCN(CC1)C

InChI

InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3

InChIKey

RCKMWOKWVGPNJF-UHFFFAOYSA-N

Compound name

N,N-diethyl-4-methylpiperazine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 2396
References: 10153
Patents: 199.16846 Da
Monoisotopic Mass: 0.3
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]+	200.175736	149.1
[M+Na]+	222.157678	153.4
[M-H]-	198.161184	150.3
[M+NH4]+	217.202283	166.0
[M+K]+	238.131618	153.5
[M+H-H2O]+	182.165720	141.1
[M+HCOO]-	244.166661	167.3
[M+CH3COO]-	258.182311	191.0
[M+Na-2H]-	220.143126	151.5
[M]+	199.16791142	146.9
[M]-	199.16900858	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe