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

10
Patents

258.13684 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 160.0
[M+Na]+ 281.126058 167.8
[M-H]- 257.129564 164.8
[M+NH4]+ 276.170663 175.5
[M+K]+ 297.099998 166.1
[M+H-H2O]+ 241.134100 152.2
[M+HCOO]- 303.135041 175.1
[M+CH3COO]- 317.150691 171.4
[M+Na-2H]- 279.111506 164.8
[M]+ 258.13629142 159.8
[M]- 258.13738858 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