CID 496038

Nsc677099

Structural Information

Molecular Formula
C19H22O5
SMILES
CCC1=CC(=O)OC2=C3C(=CC(=C12)OC(C)C)OC(C(C3=O)C)C
InChI
InChI=1S/C19H22O5/c1-6-12-7-15(20)24-19-16(12)13(22-9(2)3)8-14-17(19)18(21)10(4)11(5)23-14/h7-11H,6H2,1-5H3
InChIKey
LIHYJVAGDQUBOV-UHFFFAOYSA-N
Compound name
4-ethyl-8,9-dimethyl-5-propan-2-yloxy-8,9-dihydropyrano[2,3-h]chromene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.14673 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15401 175.6
[M+Na]+ 353.13595 185.8
[M-H]- 329.13945 183.1
[M+NH4]+ 348.18055 190.0
[M+K]+ 369.10989 185.2
[M+H-H2O]+ 313.14399 168.5
[M+HCOO]- 375.14493 191.7
[M+CH3COO]- 389.16058 216.3
[M+Na-2H]- 351.12140 178.5
[M]+ 330.14618 182.9
[M]- 330.14728 182.9
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.