CID 90479513

Psoralidin diacetate

Structural Information

Molecular Formula
C24H20O7
SMILES
CC(=CCC1=CC2=C(C=C1OC(=O)C)OC(=O)C3=C2OC4=C3C=CC(=C4)OC(=O)C)C
InChI
InChI=1S/C24H20O7/c1-12(2)5-6-15-9-18-21(11-19(15)29-14(4)26)31-24(27)22-17-8-7-16(28-13(3)25)10-20(17)30-23(18)22/h5,7-11H,6H2,1-4H3
InChIKey
CNGXHSQOZLIUCL-UHFFFAOYSA-N
Compound name
[3-acetyloxy-2-(3-methylbut-2-enyl)-6-oxo-[1]benzofuro[3,2-c]chromen-9-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

57
References

0
Patents

420.1209 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12818 198.5
[M+Na]+ 443.11012 209.7
[M-H]- 419.11362 207.8
[M+NH4]+ 438.15472 211.3
[M+K]+ 459.08406 208.7
[M+H-H2O]+ 403.11816 191.4
[M+HCOO]- 465.11910 217.4
[M+CH3COO]- 479.13475 229.2
[M+Na-2H]- 441.09557 200.9
[M]+ 420.12035 211.8
[M]- 420.12145 211.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.