CID 163409020

Glutamate-5-kinase-in-2

Structural Information

Molecular Formula
C17H10ClFN2
SMILES
C1=CC(=CC=C1C2=C3C(=C4C=CC(=CC4=N2)F)C=CN3)Cl
InChI
InChI=1S/C17H10ClFN2/c18-11-3-1-10(2-4-11)16-17-14(7-8-20-17)13-6-5-12(19)9-15(13)21-16/h1-9,20H
InChIKey
NQFNESCJUPSDFG-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-7-fluoro-3H-pyrrolo[2,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.05167 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.05895 164.6
[M+Na]+ 319.04089 177.9
[M-H]- 295.04439 168.8
[M+NH4]+ 314.08549 181.7
[M+K]+ 335.01483 168.4
[M+H-H2O]+ 279.04893 155.5
[M+HCOO]- 341.04987 179.8
[M+CH3COO]- 355.06552 176.7
[M+Na-2H]- 317.02634 170.5
[M]+ 296.05112 166.5
[M]- 296.05222 166.5
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.