CID 10387902

Chembl243770

Structural Information

Molecular Formula
C19H13FIN3
SMILES
C1=CC=C(C(=C1)C2=NC3=CN(C=CC3=N2)CC4=CC=C(C=C4)I)F
InChI
InChI=1S/C19H13FIN3/c20-16-4-2-1-3-15(16)19-22-17-9-10-24(12-18(17)23-19)11-13-5-7-14(21)8-6-13/h1-10,12H,11H2
InChIKey
VCMFXCQTFOCKOE-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-5-[(4-iodophenyl)methyl]imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

429.01382 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.02110 172.6
[M+Na]+ 452.00304 176.0
[M-H]- 428.00654 170.9
[M+NH4]+ 447.04764 180.7
[M+K]+ 467.97698 174.1
[M+H-H2O]+ 412.01108 157.5
[M+HCOO]- 474.01202 186.9
[M+CH3COO]- 488.02767 179.4
[M+Na-2H]- 449.98849 165.9
[M]+ 429.01327 169.7
[M]- 429.01437 169.7
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