CID 387917

Nsc682222

Structural Information

Molecular Formula
C14H13NO4
SMILES
CC1(CC(C2=C(O1)C(=O)C3=C(C2=O)C=CC=N3)O)C
InChI
InChI=1S/C14H13NO4/c1-14(2)6-8(16)9-11(17)7-4-3-5-15-10(7)12(18)13(9)19-14/h3-5,8,16H,6H2,1-2H3
InChIKey
JTPFBOKGRLIYEO-UHFFFAOYSA-N
Compound name
4-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]quinoline-5,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.08447 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09175 154.6
[M+Na]+ 282.07369 165.2
[M-H]- 258.07719 158.7
[M+NH4]+ 277.11829 172.8
[M+K]+ 298.04763 162.7
[M+H-H2O]+ 242.08173 147.9
[M+HCOO]- 304.08267 170.1
[M+CH3COO]- 318.09832 195.3
[M+Na-2H]- 280.05914 161.7
[M]+ 259.08392 155.6
[M]- 259.08502 155.6
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.