CID 3016503

Einecs 256-492-4

Structural Information

Molecular Formula
C21H22O6
SMILES
C1C(O1)COC2=CC=C(C=C2)C3=C(C=C(C=C3)OCC4CO4)OCC5CO5
InChI
InChI=1S/C21H22O6/c1-3-15(22-8-17-10-24-17)4-2-14(1)20-6-5-16(23-9-18-11-25-18)7-21(20)27-13-19-12-26-19/h1-7,17-19H,8-13H2
InChIKey
HZRWLEPSEHEGBC-UHFFFAOYSA-N
Compound name
2-[[4-[2,4-bis(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

370.14163 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.148906 188.7
[M+Na]+ 393.130848 191.7
[M-H]- 369.134354 200.8
[M+NH4]+ 388.175453 182.9
[M+K]+ 409.104788 196.1
[M+H-H2O]+ 353.138890 181.8
[M+HCOO]- 415.139831 201.4
[M+CH3COO]- 429.155481 193.6
[M+Na-2H]- 391.116296 188.5
[M]+ 370.14108142 198.0
[M]- 370.14217858 198.0
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