CID 9723

Cuprizone

Structural Information

Molecular Formula

C₁₄H₂₂N₄O₂

SMILES

C1CCC(=NNC(=O)C(=O)NN=C2CCCCC2)CC1

InChI

InChI=1S/C14H22N4O2/c19-13(17-15-11-7-3-1-4-8-11)14(20)18-16-12-9-5-2-6-10-12/h1-10H2,(H,17,19)(H,18,20)

InChIKey

DSRJIHMZAQEUJV-UHFFFAOYSA-N

Compound name

N,N'-bis(cyclohexylideneamino)oxamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 963
References: 2191
Patents: 278.1743 Da
Monoisotopic Mass: 1.6
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]+	279.18158	163.3
[M+Na]+	301.16352	161.9
[M-H]-	277.16702	169.9
[M+NH4]+	296.20812	177.9
[M+K]+	317.13746	160.9
[M+H-H2O]+	261.17156	154.1
[M+HCOO]-	323.17250	185.2
[M+CH3COO]-	337.18815	208.8
[M+Na-2H]-	299.14897	165.7
[M]+	278.17375	153.1
[M]-	278.17485	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe