CID 454901

3oh5,8dimeoquin4one

Structural Information

Molecular Formula
C11H11NO4
SMILES
COC1=C2C(=C(C=C1)OC)NC=C(C2=O)O
InChI
InChI=1S/C11H11NO4/c1-15-7-3-4-8(16-2)10-9(7)11(14)6(13)5-12-10/h3-5,13H,1-2H3,(H,12,14)
InChIKey
IOCGLBRYFXBXKQ-UHFFFAOYSA-N
Compound name
3-hydroxy-5,8-dimethoxy-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

221.0688 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 143.8
[M+Na]+ 244.05802 154.6
[M-H]- 220.06152 145.5
[M+NH4]+ 239.10262 161.3
[M+K]+ 260.03196 151.3
[M+H-H2O]+ 204.06606 137.6
[M+HCOO]- 266.06700 164.3
[M+CH3COO]- 280.08265 184.7
[M+Na-2H]- 242.04347 150.6
[M]+ 221.06825 146.8
[M]- 221.06935 146.8
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