CID 500191

Nsc663601

Structural Information

Molecular Formula
C18H20O5
SMILES
CCCC1=CC(=O)OC2=C3C(=CC(=C12)OC)OC(C(C3=O)C)C
InChI
InChI=1S/C18H20O5/c1-5-6-11-7-14(19)23-18-15(11)12(21-4)8-13-16(18)17(20)9(2)10(3)22-13/h7-10H,5-6H2,1-4H3
InChIKey
CYRXDFGMQMUOPT-UHFFFAOYSA-N
Compound name
5-methoxy-8,9-dimethyl-4-propyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.13107 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13835 171.1
[M+Na]+ 339.12029 182.0
[M-H]- 315.12379 178.7
[M+NH4]+ 334.16489 186.2
[M+K]+ 355.09423 181.0
[M+H-H2O]+ 299.12833 163.9
[M+HCOO]- 361.12927 188.6
[M+CH3COO]- 375.14492 212.4
[M+Na-2H]- 337.10574 175.7
[M]+ 316.13052 178.6
[M]- 316.13162 178.6
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.