CID 49767026

Nsc666028

Structural Information

Molecular Formula
C20H24O5
SMILES
CCCC1=CC(=O)OC2=C3C(=CC(=C12)OC(C)C)O[C@H]([C@@H](C3=O)C)C
InChI
InChI=1S/C20H24O5/c1-6-7-13-8-16(21)25-20-17(13)14(23-10(2)3)9-15-18(20)19(22)11(4)12(5)24-15/h8-12H,6-7H2,1-5H3/t11-,12-/m0/s1
InChIKey
SCZGCJFASYGTFW-RYUDHWBXSA-N
Compound name
(8S,9S)-8,9-dimethyl-5-propan-2-yloxy-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

344.16238 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16966 180.5
[M+Na]+ 367.15160 190.2
[M-H]- 343.15510 187.8
[M+NH4]+ 362.19620 194.3
[M+K]+ 383.12554 189.4
[M+H-H2O]+ 327.15964 173.2
[M+HCOO]- 389.16058 196.2
[M+CH3COO]- 403.17623 219.3
[M+Na-2H]- 365.13705 182.9
[M]+ 344.16183 188.1
[M]- 344.16293 188.1
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.