CID 108094

2-methoxyidazoxan

Structural Information

Molecular Formula
C12H14N2O3
SMILES
COC1(COC2=CC=CC=C2O1)C3=NCCN3
InChI
InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
InChIKey
HQGWKNGAKBPTBX-UHFFFAOYSA-N
Compound name
2-(3-methoxy-2H-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

337
References

218
Patents

234.10045 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 149.5
[M+Na]+ 257.08967 156.9
[M-H]- 233.09317 154.0
[M+NH4]+ 252.13427 165.6
[M+K]+ 273.06361 156.1
[M+H-H2O]+ 217.09771 141.7
[M+HCOO]- 279.09865 165.5
[M+CH3COO]- 293.11430 161.3
[M+Na-2H]- 255.07512 156.9
[M]+ 234.09990 148.6
[M]- 234.10100 148.6
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