CID 56843690

68517-02-2

Structural Information

Molecular Formula
C30H32O6
SMILES
CCC(C1=CC=C(C=C1)OCC2CO2)(C3=CC=C(C=C3)OCC4CO4)C5=CC=C(C=C5)OCC6CO6
InChI
InChI=1S/C30H32O6/c1-2-30(21-3-9-24(10-4-21)31-15-27-18-34-27,22-5-11-25(12-6-22)32-16-28-19-35-28)23-7-13-26(14-8-23)33-17-29-20-36-29/h3-14,27-29H,2,15-20H2,1H3
InChIKey
VLVBXHBIJRSJKD-UHFFFAOYSA-N
Compound name
2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

488.21988 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.22716 155.0
[M+Na]+ 511.20910 168.3
[M+NH4]+ 506.25370 161.5
[M+K]+ 527.18304 168.3
[M-H]- 487.21260 176.2
[M+Na-2H]- 509.19455 169.1
[M]+ 488.21933 165.4
[M]- 488.22043 165.4
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