CID 485484

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

Structural Information

Molecular Formula
C22H23N2
SMILES
C1CCC(CC1)C[N+]2=C3C4=CC=CC=C4NC3=CC5=CC=CC=C52
InChI
InChI=1S/C22H22N2/c1-2-8-16(9-3-1)15-24-21-13-7-4-10-17(21)14-20-22(24)18-11-5-6-12-19(18)23-20/h4-7,10-14,16H,1-3,8-9,15H2/p+1
InChIKey
JPXBGKSMTXNXMO-UHFFFAOYSA-O
Compound name
5-(cyclohexylmethyl)-10H-indolo[3,2-b]quinolin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.18613 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19341 177.6
[M+Na]+ 338.17535 185.3
[M-H]- 314.17885 182.9
[M+NH4]+ 333.21995 192.7
[M+K]+ 354.14929 171.1
[M+H-H2O]+ 298.18339 169.9
[M+HCOO]- 360.18433 193.0
[M+CH3COO]- 374.19998 187.0
[M+Na-2H]- 336.16080 185.2
[M]+ 315.18558 173.9
[M]- 315.18668 173.9
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.