CID 5465650

Nsc658208

Structural Information

Molecular Formula
C17H13NO4
SMILES
CCN1C2=C(C=CC(=C2)O)C3=C(C1=O)C4=C(O3)C=C(C=C4)O
InChI
InChI=1S/C17H13NO4/c1-2-18-13-7-9(19)3-5-11(13)16-15(17(18)21)12-6-4-10(20)8-14(12)22-16/h3-8,19-20H,2H2,1H3
InChIKey
YLUDELKUKHQCMC-UHFFFAOYSA-N
Compound name
5-ethyl-3,9-dihydroxy-[1]benzofuro[3,2-c]quinolin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.08447 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09175 163.8
[M+Na]+ 318.07369 178.2
[M-H]- 294.07719 169.4
[M+NH4]+ 313.11829 181.2
[M+K]+ 334.04763 173.4
[M+H-H2O]+ 278.08173 157.3
[M+HCOO]- 340.08267 184.1
[M+CH3COO]- 354.09832 177.4
[M+Na-2H]- 316.05914 171.5
[M]+ 295.08392 171.4
[M]- 295.08502 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.