CID 485483

5-benzoylmethyl-10h-indoloquinolium[3,2-b]bromide

Structural Information

Molecular Formula
C23H17N2O
SMILES
C1=CC=C(C=C1)C(=O)C[N+]2=C3C4=CC=CC=C4NC3=CC5=CC=CC=C52
InChI
InChI=1S/C23H16N2O/c26-22(16-8-2-1-3-9-16)15-25-21-13-7-4-10-17(21)14-20-23(25)18-11-5-6-12-19(18)24-20/h1-14H,15H2/p+1
InChIKey
GWYVLWJSCYMRDH-UHFFFAOYSA-O
Compound name
2-(10H-indolo[3,2-b]quinolin-5-ium-5-yl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.1341 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14138 183.7
[M+Na]+ 360.12332 193.5
[M-H]- 336.12682 190.1
[M+NH4]+ 355.16792 197.8
[M+K]+ 376.09726 179.4
[M+H-H2O]+ 320.13136 176.1
[M+HCOO]- 382.13230 202.0
[M+CH3COO]- 396.14795 193.8
[M+Na-2H]- 358.10877 192.7
[M]+ 337.13355 184.5
[M]- 337.13465 184.5
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.