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

10
Patents

228.08987 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 149.0
[M+Na]+ 251.07909 164.0
[M+NH4]+ 246.12369 157.9
[M+K]+ 267.05303 158.8
[M-H]- 227.08259 153.9
[M+Na-2H]- 249.06454 156.8
[M]+ 228.08932 152.6
[M]- 228.09042 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe