CID 496140

Nsc680441

Structural Information

Molecular Formula
C18H20O5
SMILES
CC1C(OC2=CC(=C3C(=CC(=O)OC3=C2C1=O)C)OC(C)C)C
InChI
InChI=1S/C18H20O5/c1-8(2)21-12-7-13-16(17(20)10(4)11(5)22-13)18-15(12)9(3)6-14(19)23-18/h6-8,10-11H,1-5H3
InChIKey
XXRWLFMBPZKTKL-UHFFFAOYSA-N
Compound name
4,8,9-trimethyl-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

316.13107 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13835 170.7
[M+Na]+ 339.12029 181.4
[M-H]- 315.12379 178.5
[M+NH4]+ 334.16489 185.7
[M+K]+ 355.09423 180.9
[M+H-H2O]+ 299.12833 163.8
[M+HCOO]- 361.12927 187.2
[M+CH3COO]- 375.14492 213.4
[M+Na-2H]- 337.10574 174.2
[M]+ 316.13052 177.6
[M]- 316.13162 177.6
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.