CID 6454733

Oxirane, 2,2'-((1-methylethylidene)bis(4,1-phenyleneoxy(1-methyl-2,1-ethanediyl)oxymethylene))bis-

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

271
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 203.2
[M+Na]+ 479.24042 206.3
[M-H]- 455.24392 214.8
[M+NH4]+ 474.28502 199.7
[M+K]+ 495.21436 207.7
[M+H-H2O]+ 439.24846 194.8
[M+HCOO]- 501.24940 217.4
[M+CH3COO]- 515.26505 237.9
[M+Na-2H]- 477.22587 203.3
[M]+ 456.25065 215.2
[M]- 456.25175 215.2
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