CID 485490

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

Structural Information

Molecular Formula
C26H25N2
SMILES
C1=CC=C(C=C1)CCCCC[N+]2=C3C4=CC=CC=C4NC3=CC5=CC=CC=C52
InChI
InChI=1S/C26H24N2/c1-3-11-20(12-4-1)13-5-2-10-18-28-25-17-9-6-14-21(25)19-24-26(28)22-15-7-8-16-23(22)27-24/h1,3-4,6-9,11-12,14-17,19H,2,5,10,13,18H2/p+1
InChIKey
ZDAPRVPLGVXMBE-UHFFFAOYSA-O
Compound name
5-(5-phenylpentyl)-10H-indolo[3,2-b]quinolin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.20178 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20906 194.9
[M+Na]+ 388.19100 203.6
[M-H]- 364.19450 200.5
[M+NH4]+ 383.23560 208.0
[M+K]+ 404.16494 188.1
[M+H-H2O]+ 348.19904 186.4
[M+HCOO]- 410.19998 212.8
[M+CH3COO]- 424.21563 203.8
[M+Na-2H]- 386.17645 203.0
[M]+ 365.20123 196.4
[M]- 365.20233 196.4
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.