CID 485480

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

Structural Information

Molecular Formula
C17H12N3
SMILES
C1=CC=C2C(=C1)C=C3C(=[N+]2CC#N)C4=CC=CC=C4N3
InChI
InChI=1S/C17H11N3/c18-9-10-20-16-8-4-1-5-12(16)11-15-17(20)13-6-2-3-7-14(13)19-15/h1-8,11H,10H2/p+1
InChIKey
XLXYDIFUOBSSLM-UHFFFAOYSA-O
Compound name
2-(10H-indolo[3,2-b]quinolin-5-ium-5-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.10312 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.110396 167.6
[M+Na]+ 281.092338 181.7
[M-H]- 257.095844 169.2
[M+NH4]+ 276.136943 183.6
[M+K]+ 297.066278 165.4
[M+H-H2O]+ 241.100380 155.1
[M+HCOO]- 303.101321 183.9
[M+CH3COO]- 317.116971 177.6
[M+Na-2H]- 279.077786 176.9
[M]+ 258.10257142 163.4
[M]- 258.10366858 163.4
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.