CID 13284885

1-(6-methoxy-2h-1-benzopyran-3-yl)-1h-imidazole

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂

SMILES

COC1=CC2=C(C=C1)OCC(=C2)N3C=CN=C3

InChI

InChI=1S/C13H12N2O2/c1-16-12-2-3-13-10(7-12)6-11(8-17-13)15-5-4-14-9-15/h2-7,9H,8H2,1H3

InChIKey

IVPAQQLAILLFOT-UHFFFAOYSA-N

Compound name

1-(6-methoxy-2H-chromen-3-yl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 228.08987 Da
Monoisotopic Mass: 1.7
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]+	229.097146	148.3
[M+Na]+	251.079088	157.6
[M-H]-	227.082594	154.2
[M+NH4]+	246.123693	165.1
[M+K]+	267.053028	155.3
[M+H-H2O]+	211.087130	139.9
[M+HCOO]-	273.088071	169.0
[M+CH3COO]-	287.103721	161.4
[M+Na-2H]-	249.064536	155.3
[M]+	228.08932142	150.3
[M]-	228.09041858	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe