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 163.5
[M-H]- 243.11391 159.8
[M+NH4]+ 262.15501 171.1
[M+K]+ 283.08435 161.5
[M+H-H2O]+ 227.11845 147.1
[M+HCOO]- 289.11939 171.4
[M+CH3COO]- 303.13504 166.9
[M+Na-2H]- 265.09586 161.4
[M]+ 244.12064 155.0
[M]- 244.12174 155.0
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