CID 3976

91300-60-6

Structural Information

Molecular Formula
C15H10N2O2
SMILES
C1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)C=CC=N3
InChI
InChI=1S/C15H10N2O2/c18-13-9-12(17-10-5-2-1-3-6-10)15(19)11-7-4-8-16-14(11)13/h1-9,17H
InChIKey
GXIJYWUWLNHKNW-UHFFFAOYSA-N
Compound name
6-anilinoquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

370
References

131
Patents

250.07423 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08151 153.2
[M+Na]+ 273.06345 162.2
[M-H]- 249.06695 159.8
[M+NH4]+ 268.10805 169.6
[M+K]+ 289.03739 157.2
[M+H-H2O]+ 233.07149 144.5
[M+HCOO]- 295.07243 176.1
[M+CH3COO]- 309.08808 165.7
[M+Na-2H]- 271.04890 161.4
[M]+ 250.07368 152.4
[M]- 250.07478 152.4
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

patents stripe