CID 485482

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

Structural Information

Molecular Formula
C22H17N2
SMILES
C1=CC=C(C=C1)C[N+]2=C3C4=CC=CC=C4NC3=CC5=CC=CC=C52
InChI
InChI=1S/C22H16N2/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/h1-14H,15H2/p+1
InChIKey
WPLHLSWOFZCGHW-UHFFFAOYSA-O
Compound name
5-benzyl-10H-indolo[3,2-b]quinolin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

309.13916 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14644 176.2
[M+Na]+ 332.12838 186.9
[M-H]- 308.13188 182.6
[M+NH4]+ 327.17298 191.7
[M+K]+ 348.10232 172.2
[M+H-H2O]+ 292.13642 168.7
[M+HCOO]- 354.13736 195.6
[M+CH3COO]- 368.15301 187.0
[M+Na-2H]- 330.11383 186.7
[M]+ 309.13861 176.7
[M]- 309.13971 176.7
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

patents stripe