CID 3087976

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

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CC(C1=CC=CC2=C1OC(OC2)(C)C)C3=CN=CN3
InChI
InChI=1S/C15H18N2O2/c1-10(13-7-16-9-17-13)12-6-4-5-11-8-18-15(2,3)19-14(11)12/h4-7,9-10H,8H2,1-3H3,(H,16,17)
InChIKey
XAMUJQFYUNRQFB-UHFFFAOYSA-N
Compound name
5-[1-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)ethyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

258.13684 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 160.0
[M+Na]+ 281.12606 167.8
[M-H]- 257.12956 164.8
[M+NH4]+ 276.17066 175.5
[M+K]+ 297.10000 166.1
[M+H-H2O]+ 241.13410 152.2
[M+HCOO]- 303.13504 175.1
[M+CH3COO]- 317.15069 171.4
[M+Na-2H]- 279.11151 164.8
[M]+ 258.13629 159.8
[M]- 258.13739 159.8
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