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]+ 242.08118 150.3
[M+Na]+ 264.06312 163.4
[M-H]- 240.06662 156.7
[M+NH4]+ 259.10772 170.4
[M+K]+ 280.03706 160.4
[M+H-H2O]+ 224.07116 144.7
[M+HCOO]- 286.07210 170.9
[M+CH3COO]- 300.08775 196.2
[M+Na-2H]- 262.04857 155.1
[M]+ 241.07335 155.3
[M]- 241.07445 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.