CID 485491

5-(8-phenyloctyl)-10h-indolo[3,2-b]quinolin-5-ium

Structural Information

Molecular Formula
C29H31N2
SMILES
C1=CC=C(C=C1)CCCCCCCC[N+]2=C3C4=CC=CC=C4NC3=CC5=CC=CC=C52
InChI
InChI=1S/C29H30N2/c1(3-6-14-23-15-7-5-8-16-23)2-4-13-21-31-28-20-12-9-17-24(28)22-27-29(31)25-18-10-11-19-26(25)30-27/h5,7-12,15-20,22H,1-4,6,13-14,21H2/p+1
InChIKey
LLNSCRAEEQLYHH-UHFFFAOYSA-O
Compound name
5-(8-phenyloctyl)-10H-indolo[3,2-b]quinolin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.24872 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.25600 208.7
[M+Na]+ 430.23794 215.9
[M-H]- 406.24144 213.6
[M+NH4]+ 425.28254 220.0
[M+K]+ 446.21188 199.8
[M+H-H2O]+ 390.24598 199.5
[M+HCOO]- 452.24692 225.4
[M+CH3COO]- 466.26257 216.2
[M+Na-2H]- 428.22339 215.1
[M]+ 407.24817 211.0
[M]- 407.24927 211.0
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.