CID 462526

[isoquinolyl-(4-(4-fluorobenzyloxy)phenyl)methyl]imidazole

Structural Information

Molecular Formula
C26H20FN3O
SMILES
C1=CC=C2C(=C1)C=CN=C2C(C3=CC=C(C=C3)OCC4=CC=C(C=C4)F)N5C=CN=C5
InChI
InChI=1S/C26H20FN3O/c27-22-9-5-19(6-10-22)17-31-23-11-7-21(8-12-23)26(30-16-15-28-18-30)25-24-4-2-1-3-20(24)13-14-29-25/h1-16,18,26H,17H2
InChIKey
UERQJUORWBUTMF-UHFFFAOYSA-N
Compound name
1-[[4-[(4-fluorophenyl)methoxy]phenyl]-imidazol-1-ylmethyl]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

409.15903 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.16631 199.3
[M+Na]+ 432.14825 207.4
[M-H]- 408.15175 207.6
[M+NH4]+ 427.19285 207.1
[M+K]+ 448.12219 198.6
[M+H-H2O]+ 392.15629 185.1
[M+HCOO]- 454.15723 217.3
[M+CH3COO]- 468.17288 207.8
[M+Na-2H]- 430.13370 202.2
[M]+ 409.15848 199.9
[M]- 409.15958 199.9
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

No patent data available for this compound.