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]+ 375.195476 194.0
[M+Na]+ 397.177418 204.3
[M-H]- 373.180924 204.4
[M+NH4]+ 392.222023 207.9
[M+K]+ 413.151358 200.0
[M+H-H2O]+ 357.185460 185.8
[M+HCOO]- 419.186401 214.9
[M+CH3COO]- 433.202051 205.7
[M+Na-2H]- 395.162866 197.4
[M]+ 374.18765142 202.9
[M]- 374.18874858 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.