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

700
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 202.5
[M+Na]+ 511.20910 203.2
[M-H]- 487.21260 215.2
[M+NH4]+ 506.25370 193.2
[M+K]+ 527.18304 208.0
[M+H-H2O]+ 471.21714 195.3
[M+HCOO]- 533.21808 214.0
[M+CH3COO]- 547.23373 205.6
[M+Na-2H]- 509.19455 200.5
[M]+ 488.21933 211.2
[M]- 488.22043 211.2
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