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]+ 259.11040 167.6
[M+Na]+ 281.09234 181.7
[M-H]- 257.09584 169.2
[M+NH4]+ 276.13694 183.6
[M+K]+ 297.06628 165.4
[M+H-H2O]+ 241.10038 155.1
[M+HCOO]- 303.10132 183.9
[M+CH3COO]- 317.11697 177.6
[M+Na-2H]- 279.07779 176.9
[M]+ 258.10257 163.4
[M]- 258.10367 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.