CID 3061235

4-(alpha-(2',6'-dimethylphenyl)ethoxymethyl)imidazole hydrochloride

Structural Information

Molecular Formula
C14H18N2O
SMILES
CCOC(C1=CN=CN1)C2=C(C=CC=C2C)C
InChI
InChI=1S/C14H18N2O/c1-4-17-14(12-8-15-9-16-12)13-10(2)6-5-7-11(13)3/h5-9,14H,4H2,1-3H3,(H,15,16)
InChIKey
IPUINQCRQWXRSQ-UHFFFAOYSA-N
Compound name
5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

230.1419 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 154.5
[M+Na]+ 253.13112 167.3
[M+NH4]+ 248.17572 162.1
[M+K]+ 269.10506 162.4
[M-H]- 229.13462 156.8
[M+Na-2H]- 251.11657 161.5
[M]+ 230.14135 156.9
[M]- 230.14245 156.9
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