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

No literature data available for this compound.

Patent stripe

patents stripe