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

6
Patents

276.1474 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15468 164.2
[M+Na]+ 299.13662 172.0
[M-H]- 275.14012 167.4
[M+NH4]+ 294.18122 179.0
[M+K]+ 315.11056 169.1
[M+H-H2O]+ 259.14466 155.8
[M+HCOO]- 321.14560 184.5
[M+CH3COO]- 335.16125 198.1
[M+Na-2H]- 297.12207 165.4
[M]+ 276.14685 168.4
[M]- 276.14795 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