CID 459611

13425-93-9

Structural Information

Molecular Formula
C11H11NO3
SMILES
COC1=C(C=C2C(=C1)C(=O)C=CN2)OC
InChI
InChI=1S/C11H11NO3/c1-14-10-5-7-8(6-11(10)15-2)12-4-3-9(7)13/h3-6H,1-2H3,(H,12,13)
InChIKey
QOGPNCUTXVZQSL-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

982
Patents

205.0739 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 140.4
[M+Na]+ 228.063118 150.9
[M-H]- 204.066624 143.1
[M+NH4]+ 223.107723 159.1
[M+K]+ 244.037058 147.8
[M+H-H2O]+ 188.071160 133.9
[M+HCOO]- 250.072101 162.2
[M+CH3COO]- 264.087751 183.7
[M+Na-2H]- 226.048566 148.3
[M]+ 205.07335142 143.3
[M]- 205.07444858 143.3
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

patents stripe