CID 17835309

87093-13-8

Structural Information

Molecular Formula
C29H30O6
SMILES
CC(C1=CC=C(C=C1)OCC2CO2)(C3=CC=C(C=C3)OCC4CO4)C5=CC=C(C=C5)OCC6CO6
InChI
InChI=1S/C29H30O6/c1-29(20-2-8-23(9-3-20)30-14-26-17-33-26,21-4-10-24(11-5-21)31-15-27-18-34-27)22-6-12-25(13-7-22)32-16-28-19-35-28/h2-13,26-28H,14-19H2,1H3
InChIKey
TUXBECXCUZWDPY-UHFFFAOYSA-N
Compound name
2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

272
Patents

474.20422 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.21150 153.3
[M+Na]+ 497.19344 166.6
[M+NH4]+ 492.23804 159.9
[M+K]+ 513.16738 166.7
[M-H]- 473.19694 174.5
[M+Na-2H]- 495.17889 167.5
[M]+ 474.20367 163.7
[M]- 474.20477 163.7
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