CID 475892

3-(3-ethoxymethyl-5-isopropyl-2-methyl-3h-imidazol-4-ylmethyl)-pyridine

Structural Information

Molecular Formula
C16H23N3O
SMILES
CCOCN1C(=NC(=C1CC2=CN=CC=C2)C(C)C)C
InChI
InChI=1S/C16H23N3O/c1-5-20-11-19-13(4)18-16(12(2)3)15(19)9-14-7-6-8-17-10-14/h6-8,10,12H,5,9,11H2,1-4H3
InChIKey
OJZBSALPISSDHA-UHFFFAOYSA-N
Compound name
3-[[3-(ethoxymethyl)-2-methyl-5-propan-2-ylimidazol-4-yl]methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1841 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19138 166.8
[M+Na]+ 296.17332 174.9
[M-H]- 272.17682 169.7
[M+NH4]+ 291.21792 181.2
[M+K]+ 312.14726 171.2
[M+H-H2O]+ 256.18136 157.3
[M+HCOO]- 318.18230 186.5
[M+CH3COO]- 332.19795 202.3
[M+Na-2H]- 294.15877 167.7
[M]+ 273.18355 170.9
[M]- 273.18465 170.9
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

No patent data available for this compound.