CID 485489

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

Structural Information

Molecular Formula
C24H21N2
SMILES
C1=CC=C(C=C1)CCC[N+]2=C3C4=CC=CC=C4NC3=CC5=CC=CC=C52
InChI
InChI=1S/C24H20N2/c1-2-9-18(10-3-1)11-8-16-26-23-15-7-4-12-19(23)17-22-24(26)20-13-5-6-14-21(20)25-22/h1-7,9-10,12-15,17H,8,11,16H2/p+1
InChIKey
FFTQGYBTVRZZDG-UHFFFAOYSA-O
Compound name
5-(3-phenylpropyl)-10H-indolo[3,2-b]quinolin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.17047 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17775 185.6
[M+Na]+ 360.15969 195.3
[M-H]- 336.16319 191.6
[M+NH4]+ 355.20429 199.9
[M+K]+ 376.13363 180.2
[M+H-H2O]+ 320.16773 177.6
[M+HCOO]- 382.16867 204.2
[M+CH3COO]- 396.18432 195.5
[M+Na-2H]- 358.14514 194.9
[M]+ 337.16992 186.6
[M]- 337.17102 186.6
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.