CID 475898

4-(3,5-difluoro-benzyl)-1-ethoxymethyl-5-isopropyl-2-methyl-1h-imidazole

Structural Information

Molecular Formula
C17H22F2N2O
SMILES
CCOCN1C(=NC(=C1C(C)C)CC2=CC(=CC(=C2)F)F)C
InChI
InChI=1S/C17H22F2N2O/c1-5-22-10-21-12(4)20-16(17(21)11(2)3)8-13-6-14(18)9-15(19)7-13/h6-7,9,11H,5,8,10H2,1-4H3
InChIKey
CSWRDBZLGVSRRL-UHFFFAOYSA-N
Compound name
4-[(3,5-difluorophenyl)methyl]-1-(ethoxymethyl)-2-methyl-5-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.17 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.17728 171.8
[M+Na]+ 331.15922 181.5
[M-H]- 307.16272 174.0
[M+NH4]+ 326.20382 186.7
[M+K]+ 347.13316 176.8
[M+H-H2O]+ 291.16726 161.7
[M+HCOO]- 353.16820 190.4
[M+CH3COO]- 367.18385 210.2
[M+Na-2H]- 329.14467 169.8
[M]+ 308.16945 174.4
[M]- 308.17055 174.4
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

No patent data available for this compound.