CID 168278264

Chembl5187922

Structural Information

Molecular Formula
C19H15FN2
SMILES
C1=CC=C(C=C1)CCC2=C3C(=C4C=CC(=CC4=N2)F)C=CN3
InChI
InChI=1S/C19H15FN2/c20-14-7-8-15-16-10-11-21-19(16)17(22-18(15)12-14)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-12,21H,6,9H2
InChIKey
MXHLTFVMVDNERX-UHFFFAOYSA-N
Compound name
7-fluoro-4-(2-phenylethyl)-3H-pyrrolo[2,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.12192 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12920 166.6
[M+Na]+ 313.11114 177.2
[M-H]- 289.11464 170.4
[M+NH4]+ 308.15574 182.6
[M+K]+ 329.08508 168.7
[M+H-H2O]+ 273.11918 156.6
[M+HCOO]- 335.12012 185.7
[M+CH3COO]- 349.13577 177.8
[M+Na-2H]- 311.09659 172.6
[M]+ 290.12137 166.4
[M]- 290.12247 166.4
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.