CID 1801637

3-(4-pentylphenyl)-5-propyl-7h-furo[3,2-g]chromen-7-one

Structural Information

Molecular Formula
C25H26O3
SMILES
CCCCCC1=CC=C(C=C1)C2=COC3=C2C=C4C(=CC(=O)OC4=C3)CCC
InChI
InChI=1S/C25H26O3/c1-3-5-6-8-17-9-11-18(12-10-17)22-16-27-23-15-24-20(14-21(22)23)19(7-4-2)13-25(26)28-24/h9-16H,3-8H2,1-2H3
InChIKey
PVKZRBRQBKDMHW-UHFFFAOYSA-N
Compound name
3-(4-pentylphenyl)-5-propylfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1882 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.19548 194.0
[M+Na]+ 397.17742 204.3
[M-H]- 373.18092 204.4
[M+NH4]+ 392.22202 207.9
[M+K]+ 413.15136 200.0
[M+H-H2O]+ 357.18546 185.8
[M+HCOO]- 419.18640 214.9
[M+CH3COO]- 433.20205 205.7
[M+Na-2H]- 395.16287 197.4
[M]+ 374.18765 202.9
[M]- 374.18875 202.9
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.