CID 10386055

Chembl163569

Structural Information

Molecular Formula
C23H25FN2O3
SMILES
CC1=NC=CN1C2=CC=C(C=C2)COC3=CC(=CC(=C3)C4(CCOCC4)OC)F
InChI
InChI=1S/C23H25FN2O3/c1-17-25-9-10-26(17)21-5-3-18(4-6-21)16-29-22-14-19(13-20(24)15-22)23(27-2)7-11-28-12-8-23/h3-6,9-10,13-15H,7-8,11-12,16H2,1-2H3
InChIKey
HTGQJYKWNVPUQR-UHFFFAOYSA-N
Compound name
1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

17
Patents

396.1849 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.19218 195.4
[M+Na]+ 419.17412 202.0
[M-H]- 395.17762 204.5
[M+NH4]+ 414.21872 205.4
[M+K]+ 435.14806 197.9
[M+H-H2O]+ 379.18216 182.9
[M+HCOO]- 441.18310 211.6
[M+CH3COO]- 455.19875 204.5
[M+Na-2H]- 417.15957 195.4
[M]+ 396.18435 195.3
[M]- 396.18545 195.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe