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

12
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

literature stripe

Patent stripe

patents stripe