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]+ 393.20604 187.7
[M+Na]+ 415.18798 196.2
[M-H]- 391.19148 205.1
[M+NH4]+ 410.23258 201.0
[M+K]+ 431.16192 198.7
[M+H-H2O]+ 375.19602 187.3
[M+HCOO]- 437.19696 209.0
[M+CH3COO]- 451.21261 219.6
[M+Na-2H]- 413.17343 191.4
[M]+ 392.19821 198.9
[M]- 392.19931 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