CID 3009692

2,3,6-trimethylfuro[3,2-g]quinoline-4,9-dione

Structural Information

Molecular Formula
C14H11NO3
SMILES
CC1=CC2=C(C(=O)C3=C(C2=O)C(=C(O3)C)C)N=C1
InChI
InChI=1S/C14H11NO3/c1-6-4-9-11(15-5-6)13(17)14-10(12(9)16)7(2)8(3)18-14/h4-5H,1-3H3
InChIKey
QEWRLHVAKOFSQA-UHFFFAOYSA-N
Compound name
2,3,6-trimethylfuro[3,2-g]quinoline-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

241.0739 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.081176 150.3
[M+Na]+ 264.063118 163.4
[M-H]- 240.066624 156.7
[M+NH4]+ 259.107723 170.4
[M+K]+ 280.037058 160.4
[M+H-H2O]+ 224.071160 144.7
[M+HCOO]- 286.072101 170.9
[M+CH3COO]- 300.087751 196.2
[M+Na-2H]- 262.048566 155.1
[M]+ 241.07335142 155.3
[M]- 241.07444858 155.3
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.