CID 3087977

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

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CCCCC(C1=CC=CC2=C1OC(OC2)(C)C)C3=CN=CN3
InChI
InChI=1S/C18H24N2O2/c1-4-5-8-14(16-10-19-12-20-16)15-9-6-7-13-11-21-18(2,3)22-17(13)15/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3,(H,19,20)
InChIKey
VDGBIIWNEFMNFG-UHFFFAOYSA-N
Compound name
5-[1-(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)pentyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

300.18378 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.191056 173.8
[M+Na]+ 323.172998 180.3
[M-H]- 299.176504 178.0
[M+NH4]+ 318.217603 187.5
[M+K]+ 339.146938 177.8
[M+H-H2O]+ 283.181040 165.4
[M+HCOO]- 345.181981 187.8
[M+CH3COO]- 359.197631 183.8
[M+Na-2H]- 321.158446 176.9
[M]+ 300.18323142 174.6
[M]- 300.18432858 174.6
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