CID 334841

Psoralin, n-decanoyl-5-oxo-

Structural Information

Molecular Formula
C21H24O5
SMILES
CCCCCCCCCC(=O)OC1=C2C=CC(=O)OC2=CC3=C1C=CO3
InChI
InChI=1S/C21H24O5/c1-2-3-4-5-6-7-8-9-19(22)26-21-15-10-11-20(23)25-18(15)14-17-16(21)12-13-24-17/h10-14H,2-9H2,1H3
InChIKey
UMHQELYIUBDOOU-UHFFFAOYSA-N
Compound name
(7-oxofuro[3,2-g]chromen-4-yl) decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.16238 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16966 185.7
[M+Na]+ 379.15160 194.3
[M-H]- 355.15510 192.4
[M+NH4]+ 374.19620 200.0
[M+K]+ 395.12554 192.3
[M+H-H2O]+ 339.15964 178.6
[M+HCOO]- 401.16058 206.3
[M+CH3COO]- 415.17623 214.8
[M+Na-2H]- 377.13705 190.0
[M]+ 356.16183 196.7
[M]- 356.16293 196.7
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.