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

10
Patents

244.12119 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.128466 154.9
[M+Na]+ 267.110408 163.5
[M-H]- 243.113914 159.8
[M+NH4]+ 262.155013 171.1
[M+K]+ 283.084348 161.5
[M+H-H2O]+ 227.118450 147.1
[M+HCOO]- 289.119391 171.4
[M+CH3COO]- 303.135041 166.9
[M+Na-2H]- 265.095856 161.4
[M]+ 244.12064142 155.0
[M]- 244.12173858 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