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]+ 231.149176 153.8
[M+Na]+ 253.131118 161.5
[M-H]- 229.134624 156.8
[M+NH4]+ 248.175723 170.4
[M+K]+ 269.105058 157.7
[M+H-H2O]+ 213.139160 145.7
[M+HCOO]- 275.140101 174.1
[M+CH3COO]- 289.155751 189.8
[M+Na-2H]- 251.116566 156.2
[M]+ 230.14135142 154.5
[M]- 230.14244858 154.5
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