CID 502062

Schembl7247052

Structural Information

Molecular Formula
C24H24O6S
SMILES
CCCC1=CC(=O)OC2=CC(=C3C=CC(OC3=C12)(C)C)OS(=O)(=O)C4=CC=C(C=C4)C
InChI
InChI=1S/C24H24O6S/c1-5-6-16-13-21(25)28-20-14-19(18-11-12-24(3,4)29-23(18)22(16)20)30-31(26,27)17-9-7-15(2)8-10-17/h7-14H,5-6H2,1-4H3
InChIKey
WVMIAZPMJQAILC-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-8-oxo-10-propylpyrano[2,3-f]chromen-5-yl) 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

440.12936 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.13664 202.3
[M+Na]+ 463.11858 212.8
[M-H]- 439.12208 212.6
[M+NH4]+ 458.16318 213.8
[M+K]+ 479.09252 211.1
[M+H-H2O]+ 423.12662 193.7
[M+HCOO]- 485.12756 214.6
[M+CH3COO]- 499.14321 229.8
[M+Na-2H]- 461.10403 208.6
[M]+ 440.12881 212.9
[M]- 440.12991 212.9
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.