CID 93677

((2-(p-(oxiranylmethoxy)benzyl)phenoxy)methyl)oxirane

Structural Information

Molecular Formula
C19H20O4
SMILES
C1C(O1)COC2=CC=C(C=C2)CC3=CC=CC=C3OCC4CO4
InChI
InChI=1S/C19H20O4/c1-2-4-19(23-13-18-12-22-18)15(3-1)9-14-5-7-16(8-6-14)20-10-17-11-21-17/h1-8,17-18H,9-13H2
InChIKey
KWBKELCPJJUMNV-UHFFFAOYSA-N
Compound name
2-[[2-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

312.13617 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.143446 172.7
[M+Na]+ 335.125388 179.7
[M-H]- 311.128894 185.5
[M+NH4]+ 330.169993 174.5
[M+K]+ 351.099328 180.5
[M+H-H2O]+ 295.133430 164.6
[M+HCOO]- 357.134371 192.1
[M+CH3COO]- 371.150021 182.2
[M+Na-2H]- 333.110836 176.9
[M]+ 312.13562142 181.2
[M]- 312.13671858 181.2
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