CID 55660

87236-22-4

Structural Information

Molecular Formula

C₁₆H₁₆N₂O₂

SMILES

C1CCC(CC1)N2C=NC3=C2C4=CC=CC=C4OC3=O

InChI

InChI=1S/C16H16N2O2/c19-16-14-15(12-8-4-5-9-13(12)20-16)18(10-17-14)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2

InChIKey

GLXOIRWVKHIVSI-UHFFFAOYSA-N

Compound name

1-cyclohexylchromeno[3,4-d]imidazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 48
Patents: 268.1212 Da
Monoisotopic Mass: 3.2
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]+	269.128476	158.7
[M+Na]+	291.110418	168.1
[M-H]-	267.113924	165.3
[M+NH4]+	286.155023	174.8
[M+K]+	307.084358	163.9
[M+H-H2O]+	251.118460	149.7
[M+HCOO]-	313.119401	176.7
[M+CH3COO]-	327.135051	170.8
[M+Na-2H]-	289.095866	164.8
[M]+	268.12065142	158.7
[M]-	268.12174858	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe