CID 124255

133174-26-2

Structural Information

Molecular Formula
C25H26O3
SMILES
C1C(OC2=CC(=C(C=C21)O)CCCOC3=CC=CC=C3)CCC4=CC=CC=C4
InChI
InChI=1S/C25H26O3/c26-24-17-21-16-23(14-13-19-8-3-1-4-9-19)28-25(21)18-20(24)10-7-15-27-22-11-5-2-6-12-22/h1-6,8-9,11-12,17-18,23,26H,7,10,13-16H2
InChIKey
WPWMIRXEAPDWIV-UHFFFAOYSA-N
Compound name
6-(3-phenoxypropyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

374.1882 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.19548 192.1
[M+Na]+ 397.17742 197.6
[M-H]- 373.18092 201.3
[M+NH4]+ 392.22202 204.4
[M+K]+ 413.15136 192.3
[M+H-H2O]+ 357.18546 183.0
[M+HCOO]- 419.18640 211.2
[M+CH3COO]- 433.20205 201.7
[M+Na-2H]- 395.16287 193.7
[M]+ 374.18765 194.3
[M]- 374.18875 194.3
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.