CID 54459

Idazoxan

Structural Information

Molecular Formula
C11H12N2O2
SMILES
C1CN=C(N1)C2COC3=CC=CC=C3O2
InChI
InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
InChIKey
HPMRFMKYPGXPEP-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1700
References

6910
Patents

204.08987 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 142.0
[M+Na]+ 227.079088 149.0
[M-H]- 203.082594 146.3
[M+NH4]+ 222.123693 157.3
[M+K]+ 243.053028 147.6
[M+H-H2O]+ 187.087130 134.2
[M+HCOO]- 249.088071 158.1
[M+CH3COO]- 263.103721 154.0
[M+Na-2H]- 225.064536 148.9
[M]+ 204.08932142 139.0
[M]- 204.09041858 139.0
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