CID 3030916

Oxirane, 2,2',2''-[1-propanyl-3-ylidenetris(phenyleneoxymethylene)]tris-

Structural Information

Molecular Formula
C30H32O6
SMILES
C1C(O1)COC2=CC=C(C=C2)CCC(C3=CC=C(C=C3)OCC4CO4)C5=CC=C(C=C5)OCC6CO6
InChI
InChI=1S/C30H32O6/c1-8-24(31-15-27-18-34-27)9-2-21(1)3-14-30(22-4-10-25(11-5-22)32-16-28-19-35-28)23-6-12-26(13-7-23)33-17-29-20-36-29/h1-2,4-13,27-30H,3,14-20H2
InChIKey
WZKPOAWBXHEIKH-UHFFFAOYSA-N
Compound name
2-[[4-[1,3-bis[4-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

683
Patents

488.21988 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.22716 152.2
[M+Na]+ 511.20910 165.4
[M+NH4]+ 506.25370 158.8
[M+K]+ 527.18304 165.4
[M-H]- 487.21260 173.6
[M+Na-2H]- 509.19455 166.3
[M]+ 488.21933 162.6
[M]- 488.22043 162.6
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