CID 372581

Nsc647941

Structural Information

Molecular Formula
C15H15NO4
SMILES
CC1=CC2=C(C(=O)C3=C(C2=O)C(CC(O3)(C)C)O)N=C1
InChI
InChI=1S/C15H15NO4/c1-7-4-8-11(16-6-7)13(19)14-10(12(8)18)9(17)5-15(2,3)20-14/h4,6,9,17H,5H2,1-3H3
InChIKey
YIMVNPNFSCHJGD-UHFFFAOYSA-N
Compound name
4-hydroxy-2,2,7-trimethyl-3,4-dihydropyrano[3,2-g]quinoline-5,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1001 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10738 159.0
[M+Na]+ 296.08932 170.0
[M-H]- 272.09282 163.2
[M+NH4]+ 291.13392 176.9
[M+K]+ 312.06326 167.3
[M+H-H2O]+ 256.09736 152.3
[M+HCOO]- 318.09830 174.0
[M+CH3COO]- 332.11395 199.7
[M+Na-2H]- 294.07477 164.9
[M]+ 273.09955 160.7
[M]- 273.10065 160.7
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.