CID 485478

5-pentyl-10h-indolo[3,2-b]quinolin-5-ium

Structural Information

Molecular Formula
C20H21N2
SMILES
CCCCC[N+]1=C2C3=CC=CC=C3NC2=CC4=CC=CC=C41
InChI
InChI=1S/C20H20N2/c1-2-3-8-13-22-19-12-7-4-9-15(19)14-18-20(22)16-10-5-6-11-17(16)21-18/h4-7,9-12,14H,2-3,8,13H2,1H3/p+1
InChIKey
HJOYQBDJOIKADY-UHFFFAOYSA-O
Compound name
5-pentyl-10H-indolo[3,2-b]quinolin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.17047 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17775 171.9
[M+Na]+ 312.15969 182.5
[M-H]- 288.16319 175.1
[M+NH4]+ 307.20429 189.1
[M+K]+ 328.13363 168.8
[M+H-H2O]+ 272.16773 165.8
[M+HCOO]- 334.16867 191.1
[M+CH3COO]- 348.18432 183.0
[M+Na-2H]- 310.14514 181.6
[M]+ 289.16992 174.5
[M]- 289.17102 174.5
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.