CID 4167891

61093-48-9

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(C)(C1=CC=CO1)C2=CC=C(O2)C(C)(C)C3=CC=C(O3)C(C)(C)C4=CC=CO4
InChI
InChI=1S/C25H28O4/c1-23(2,17-9-7-15-26-17)19-11-13-21(28-19)25(5,6)22-14-12-20(29-22)24(3,4)18-10-8-16-27-18/h7-16H,1-6H3
InChIKey
QFNIDNWVIXSVAV-UHFFFAOYSA-N
Compound name
2-[2-(furan-2-yl)propan-2-yl]-5-[2-[5-[2-(furan-2-yl)propan-2-yl]furan-2-yl]propan-2-yl]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

392.19876 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.206036 187.7
[M+Na]+ 415.187978 196.2
[M-H]- 391.191484 205.1
[M+NH4]+ 410.232583 201.0
[M+K]+ 431.161918 198.7
[M+H-H2O]+ 375.196020 187.3
[M+HCOO]- 437.196961 209.0
[M+CH3COO]- 451.212611 219.6
[M+Na-2H]- 413.173426 191.4
[M]+ 392.19821142 198.9
[M]- 392.19930858 198.9
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

patents stripe