CID 475897

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

Structural Information

Molecular Formula
C22H24F2N2O
SMILES
CC1=NC(=C(N1COCC2=CC=CC=C2)C(C)C)CC3=CC(=CC(=C3)F)F
InChI
InChI=1S/C22H24F2N2O/c1-15(2)22-21(11-18-9-19(23)12-20(24)10-18)25-16(3)26(22)14-27-13-17-7-5-4-6-8-17/h4-10,12,15H,11,13-14H2,1-3H3
InChIKey
XZTNHLFKWQDTIL-UHFFFAOYSA-N
Compound name
4-[(3,5-difluorophenyl)methyl]-2-methyl-1-(phenylmethoxymethyl)-5-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.18567 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19295 189.8
[M+Na]+ 393.17489 198.4
[M-H]- 369.17839 194.7
[M+NH4]+ 388.21949 201.4
[M+K]+ 409.14883 191.8
[M+H-H2O]+ 353.18293 177.7
[M+HCOO]- 415.18387 207.8
[M+CH3COO]- 429.19952 220.7
[M+Na-2H]- 391.16034 187.0
[M]+ 370.18512 191.4
[M]- 370.18622 191.4
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.