CID 485485

5-(cyclopentylmethyl)-10h-indolo[3,2-b]quinolin-5-ium

Structural Information

Molecular Formula
C21H21N2
SMILES
C1CCC(C1)C[N+]2=C3C4=CC=CC=C4NC3=CC5=CC=CC=C52
InChI
InChI=1S/C21H20N2/c1-2-8-15(7-1)14-23-20-12-6-3-9-16(20)13-19-21(23)17-10-4-5-11-18(17)22-19/h3-6,9-13,15H,1-2,7-8,14H2/p+1
InChIKey
YQUFJFODWNYAGO-UHFFFAOYSA-O
Compound name
5-(cyclopentylmethyl)-10H-indolo[3,2-b]quinolin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.17047 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17775 173.6
[M+Na]+ 324.15969 182.8
[M-H]- 300.16319 180.0
[M+NH4]+ 319.20429 191.4
[M+K]+ 340.13363 169.1
[M+H-H2O]+ 284.16773 167.4
[M+HCOO]- 346.16867 191.8
[M+CH3COO]- 360.18432 184.3
[M+Na-2H]- 322.14514 179.6
[M]+ 301.16992 172.1
[M]- 301.17102 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

literature stripe

Patent stripe

No patent data available for this compound.