CID 55656

(1)benzopyrano(3,4-d)imidazol-4(1h)-one, 1-propyl-

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂

SMILES

CCCN1C=NC2=C1C3=CC=CC=C3OC2=O

InChI

InChI=1S/C13H12N2O2/c1-2-7-15-8-14-11-12(15)9-5-3-4-6-10(9)17-13(11)16/h3-6,8H,2,7H2,1H3

InChIKey

MAIPMUKCRMAMJS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 62
Patents: 228.08987 Da
Monoisotopic Mass: 2.3
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]+	229.09715	147.5
[M+Na]+	251.07909	163.8
[M+NH4]+	246.12369	156.3
[M+K]+	267.05303	158.1
[M-H]-	227.08259	151.0
[M+Na-2H]-	249.06454	154.0
[M]+	228.08932	151.0
[M]-	228.09042	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe