CID 168296713

Chembl5205196

Structural Information

Molecular Formula
C19H23FN2
SMILES
CCCCCCCCC1=C2C(=C3C=CC(=CC3=N1)F)C=CN2
InChI
InChI=1S/C19H23FN2/c1-2-3-4-5-6-7-8-17-19-16(11-12-21-19)15-10-9-14(20)13-18(15)22-17/h9-13,21H,2-8H2,1H3
InChIKey
XKCMRXCMQYTUHC-UHFFFAOYSA-N
Compound name
7-fluoro-4-octyl-3H-pyrrolo[2,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.18454 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.19182 172.8
[M+Na]+ 321.17376 182.1
[M-H]- 297.17726 172.8
[M+NH4]+ 316.21836 189.2
[M+K]+ 337.14770 174.3
[M+H-H2O]+ 281.18180 163.6
[M+HCOO]- 343.18274 190.6
[M+CH3COO]- 357.19839 183.1
[M+Na-2H]- 319.15921 176.6
[M]+ 298.18399 175.1
[M]- 298.18509 175.1
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.