CID 125992

2-(2-ethoxy-2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1h-imidazole

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CCOC1(COC2=CC=CC=C2O1)C3=NCCN3
InChI
InChI=1S/C13H16N2O3/c1-2-17-13(12-14-7-8-15-12)9-16-10-5-3-4-6-11(10)18-13/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKey
PXTLRBYNGGDZBN-UHFFFAOYSA-N
Compound name
2-(3-ethoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

50
Patents

248.11609 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 154.1
[M+Na]+ 271.10531 161.0
[M-H]- 247.10881 158.4
[M+NH4]+ 266.14991 169.5
[M+K]+ 287.07925 160.0
[M+H-H2O]+ 231.11335 146.0
[M+HCOO]- 293.11429 169.7
[M+CH3COO]- 307.12994 165.4
[M+Na-2H]- 269.09076 161.0
[M]+ 248.11554 153.4
[M]- 248.11664 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe