CID 168280930

Chembl5183952

Structural Information

Molecular Formula
C19H16N2
SMILES
C1=CC=C(C=C1)CCC2=NC3=CC=CC=C3C4=C2NC=C4
InChI
InChI=1S/C19H16N2/c1-2-6-14(7-3-1)10-11-18-19-16(12-13-20-19)15-8-4-5-9-17(15)21-18/h1-9,12-13,20H,10-11H2
InChIKey
ALOHDQKZTJCJBE-UHFFFAOYSA-N
Compound name
4-(2-phenylethyl)-3H-pyrrolo[2,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.13135 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13863 162.9
[M+Na]+ 295.12057 172.6
[M-H]- 271.12407 167.8
[M+NH4]+ 290.16517 179.5
[M+K]+ 311.09451 164.6
[M+H-H2O]+ 255.12861 153.8
[M+HCOO]- 317.12955 183.2
[M+CH3COO]- 331.14520 174.5
[M+Na-2H]- 293.10602 170.4
[M]+ 272.13080 163.3
[M]- 272.13190 163.3
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.