CID 55654

87236-16-6

Structural Information

Molecular Formula

C₁₁H₈N₂O₂

SMILES

CN1C=NC2=C1C3=CC=CC=C3OC2=O

InChI

InChI=1S/C11H8N2O2/c1-13-6-12-9-10(13)7-4-2-3-5-8(7)15-11(9)14/h2-6H,1H3

InChIKey

PYBRFNFQHRUEEZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 53
Patents: 200.05858 Da
Monoisotopic Mass: 1.5
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]+	201.06586	138.2
[M+Na]+	223.04780	154.9
[M+NH4]+	218.09240	147.4
[M+K]+	239.02174	149.7
[M-H]-	199.05130	141.8
[M+Na-2H]-	221.03325	145.2
[M]+	200.05803	141.8
[M]-	200.05913	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe