CID 6454733

63832-41-7

Structural Information

Molecular Formula
C27H36O6
SMILES
CC(COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCC(C)OCC3CO3)OCC4CO4
InChI
InChI=1S/C27H36O6/c1-19(28-15-25-17-32-25)13-30-23-9-5-21(6-10-23)27(3,4)22-7-11-24(12-8-22)31-14-20(2)29-16-26-18-33-26/h5-12,19-20,25-26H,13-18H2,1-4H3
InChIKey
BIQUGUWHHLMHCS-UHFFFAOYSA-N
Compound name
2-[1-[4-[2-[4-[2-(oxiran-2-ylmethoxy)propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yloxymethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

265
Patents

456.2512 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.25848 185.3
[M+Na]+ 479.24042 198.1
[M+NH4]+ 474.28502 191.6
[M+K]+ 495.21436 196.5
[M-H]- 455.24392 203.4
[M+Na-2H]- 477.22587 196.1
[M]+ 456.25065 194.4
[M]- 456.25175 194.4
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