CID 3087975

1h-imidazole, 4-((2,2-dimethyl-4h-1,3-benzodioxin-8-yl)methyl)-

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC1(OCC2=C(O1)C(=CC=C2)CC3=CN=CN3)C
InChI
InChI=1S/C14H16N2O2/c1-14(2)17-8-11-5-3-4-10(13(11)18-14)6-12-7-15-9-16-12/h3-5,7,9H,6,8H2,1-2H3,(H,15,16)
InChIKey
GSOJMFJZZGOALN-UHFFFAOYSA-N
Compound name
5-[(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

244.12119 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 154.9
[M+Na]+ 267.11041 168.8
[M+NH4]+ 262.15501 164.6
[M+K]+ 283.08435 162.5
[M-H]- 243.11391 160.5
[M+Na-2H]- 265.09586 161.9
[M]+ 244.12064 158.7
[M]- 244.12174 158.7
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