CID 3008305

1-(quinolin-8-ylmethyl)indole-2,3-dione

Structural Information

Molecular Formula
C18H12N2O2
SMILES
C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC=CC4=C3N=CC=C4
InChI
InChI=1S/C18H12N2O2/c21-17-14-8-1-2-9-15(14)20(18(17)22)11-13-6-3-5-12-7-4-10-19-16(12)13/h1-10H,11H2
InChIKey
RDKDNZGNVLOSBR-UHFFFAOYSA-N
Compound name
1-(quinolin-8-ylmethyl)indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

288.08987 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09715 165.9
[M+Na]+ 311.07909 176.4
[M-H]- 287.08259 172.4
[M+NH4]+ 306.12369 182.6
[M+K]+ 327.05303 170.1
[M+H-H2O]+ 271.08713 156.7
[M+HCOO]- 333.08807 185.8
[M+CH3COO]- 347.10372 178.0
[M+Na-2H]- 309.06454 170.9
[M]+ 288.08932 167.1
[M]- 288.09042 167.1
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