CID 455913

Chembl421900

Structural Information

Molecular Formula
C19H23NO5
SMILES
CC(C)CC(=O)NC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O
InChI
InChI=1S/C19H23NO5/c1-10(2)9-13(21)20-16-15-12(25-19(3,4)18(16)23)7-5-11-6-8-14(22)24-17(11)15/h5-8,10,16,18,23H,9H2,1-4H3,(H,20,21)
InChIKey
AZFTXLJYNBBMLI-UHFFFAOYSA-N
Compound name
N-(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl)-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.15762 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.16490 180.8
[M+Na]+ 368.14684 188.6
[M-H]- 344.15034 186.3
[M+NH4]+ 363.19144 194.9
[M+K]+ 384.12078 187.9
[M+H-H2O]+ 328.15488 173.9
[M+HCOO]- 390.15582 195.3
[M+CH3COO]- 404.17147 216.6
[M+Na-2H]- 366.13229 185.1
[M]+ 345.15707 184.4
[M]- 345.15817 184.4
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

No patent data available for this compound.