CID 485488

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

Structural Information

Molecular Formula
C23H19N2
SMILES
C1=CC=C(C=C1)CC[N+]2=C3C4=CC=CC=C4NC3=CC5=CC=CC=C52
InChI
InChI=1S/C23H18N2/c1-2-8-17(9-3-1)14-15-25-22-13-7-4-10-18(22)16-21-23(25)19-11-5-6-12-20(19)24-21/h1-13,16H,14-15H2/p+1
InChIKey
XHFWYKZPZFPKOE-UHFFFAOYSA-O
Compound name
5-(2-phenylethyl)-10H-indolo[3,2-b]quinolin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.15482 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.16210 180.9
[M+Na]+ 346.14404 191.1
[M-H]- 322.14754 187.1
[M+NH4]+ 341.18864 195.8
[M+K]+ 362.11798 176.2
[M+H-H2O]+ 306.15208 173.2
[M+HCOO]- 368.15302 199.9
[M+CH3COO]- 382.16867 191.3
[M+Na-2H]- 344.12949 190.8
[M]+ 323.15427 181.6
[M]- 323.15537 181.6
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.