CID 3087971

4-((2,6-dimethoxy-3-(1-methoxyethyl)phenyl)methyl)-1h-imidazole monohydrochloride

Structural Information

Molecular Formula
C15H20N2O3
SMILES
CC(C1=C(C(=C(C=C1)OC)CC2=CN=CN2)OC)OC
InChI
InChI=1S/C15H20N2O3/c1-10(18-2)12-5-6-14(19-3)13(15(12)20-4)7-11-8-16-9-17-11/h5-6,8-10H,7H2,1-4H3,(H,16,17)
InChIKey
MCFLKQLBTHBEDK-UHFFFAOYSA-N
Compound name
5-[[2,6-dimethoxy-3-(1-methoxyethyl)phenyl]methyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

276.1474 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.154676 164.2
[M+Na]+ 299.136618 172.0
[M-H]- 275.140124 167.4
[M+NH4]+ 294.181223 179.0
[M+K]+ 315.110558 169.1
[M+H-H2O]+ 259.144660 155.8
[M+HCOO]- 321.145601 184.5
[M+CH3COO]- 335.161251 198.1
[M+Na-2H]- 297.122066 165.4
[M]+ 276.14685142 168.4
[M]- 276.14794858 168.4
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