CID 168285863

Chembl5195373

Structural Information

Molecular Formula
C23H14ClFN2
SMILES
C1=CC=C2C(=C1)C3=C(C(=N2)C4=CC=C(C=C4)Cl)NC=C3C5=CC(=CC=C5)F
InChI
InChI=1S/C23H14ClFN2/c24-16-10-8-14(9-11-16)22-23-21(18-6-1-2-7-20(18)27-22)19(13-26-23)15-4-3-5-17(25)12-15/h1-13,26H
InChIKey
LCFGEEPZJJAGBA-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1-(3-fluorophenyl)-3H-pyrrolo[2,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.08295 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09023 188.1
[M+Na]+ 395.07217 200.6
[M-H]- 371.07567 195.0
[M+NH4]+ 390.11677 201.4
[M+K]+ 411.04611 189.5
[M+H-H2O]+ 355.08021 176.8
[M+HCOO]- 417.08115 202.0
[M+CH3COO]- 431.09680 198.4
[M+Na-2H]- 393.05762 191.8
[M]+ 372.08240 189.7
[M]- 372.08350 189.7
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.