CID 462515

[isoquinolyl(4-fluorophenyl)methyl]imidazole, mononitrate

Structural Information

Molecular Formula
C19H14FN3
SMILES
C1=CC=C2C(=C1)C=CN=C2C(C3=CC=C(C=C3)F)N4C=CN=C4
InChI
InChI=1S/C19H14FN3/c20-16-7-5-15(6-8-16)19(23-12-11-21-13-23)18-17-4-2-1-3-14(17)9-10-22-18/h1-13,19H
InChIKey
FPHKNWOMRFNAJW-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)-imidazol-1-ylmethyl]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.1172 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.12448 169.4
[M+Na]+ 326.10642 179.1
[M-H]- 302.10992 175.2
[M+NH4]+ 321.15102 182.4
[M+K]+ 342.08036 171.6
[M+H-H2O]+ 286.11446 157.5
[M+HCOO]- 348.11540 189.0
[M+CH3COO]- 362.13105 180.3
[M+Na-2H]- 324.09187 174.9
[M]+ 303.11665 169.1
[M]- 303.11775 169.1
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.