CID 5297645

1-{1-phenyl-1h,2h,3h-pyrrolo[2,3-b]quinolin-4-yl}pyrrolidine

Structural Information

Molecular Formula
C21H21N3
SMILES
C1CCN(C1)C2=C3CCN(C3=NC4=CC=CC=C42)C5=CC=CC=C5
InChI
InChI=1S/C21H21N3/c1-2-8-16(9-3-1)24-15-12-18-20(23-13-6-7-14-23)17-10-4-5-11-19(17)22-21(18)24/h1-5,8-11H,6-7,12-15H2
InChIKey
MGMJHJOCWJIHAC-UHFFFAOYSA-N
Compound name
1-phenyl-4-pyrrolidin-1-yl-2,3-dihydropyrrolo[2,3-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

315.17355 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.180826 175.8
[M+Na]+ 338.162768 182.8
[M-H]- 314.166274 183.0
[M+NH4]+ 333.207373 191.1
[M+K]+ 354.136708 175.7
[M+H-H2O]+ 298.170810 164.9
[M+HCOO]- 360.171751 191.9
[M+CH3COO]- 374.187401 185.6
[M+Na-2H]- 336.148216 176.2
[M]+ 315.17300142 172.1
[M]- 315.17409858 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.