CID 171390277

F33btq3w9n

Structural Information

Molecular Formula
C14H14ClFN2O2
SMILES
C[C@H](C1=CC=C(C=C1)Cl)N2C=NC=C2C(=O)OCC[18F]
InChI
InChI=1S/C14H14ClFN2O2/c1-10(11-2-4-12(15)5-3-11)18-9-17-8-13(18)14(19)20-7-6-16/h2-5,8-10H,6-7H2,1H3/t10-/m1/s1/i16-1
InChIKey
LLQSQLUUPNLKRG-CNVZLFMUSA-N
Compound name
2-(18F)fluoranylethyl 3-[(1R)-1-(4-chlorophenyl)ethyl]imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.07532 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.08260 163.7
[M+Na]+ 318.06454 172.5
[M-H]- 294.06804 166.5
[M+NH4]+ 313.10914 178.9
[M+K]+ 334.03848 167.7
[M+H-H2O]+ 278.07258 154.6
[M+HCOO]- 340.07352 179.1
[M+CH3COO]- 354.08917 200.0
[M+Na-2H]- 316.04999 164.4
[M]+ 295.07477 167.2
[M]- 295.07587 167.2
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.