CID 45360337

Verimol g

Structural Information

Molecular Formula
C20H26O5
SMILES
CC(C(C1=CC=C(C=C1)OC)OC(C)C(C2=CC=C(C=C2)OC)O)O
InChI
InChI=1S/C20H26O5/c1-13(21)20(16-7-11-18(24-4)12-8-16)25-14(2)19(22)15-5-9-17(23-3)10-6-15/h5-14,19-22H,1-4H3
InChIKey
TXTILWZRXPOUKA-UHFFFAOYSA-N
Compound name
1-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-1-(4-methoxyphenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

346.178 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.185276 183.3
[M+Na]+ 369.167218 186.4
[M-H]- 345.170724 186.6
[M+NH4]+ 364.211823 194.5
[M+K]+ 385.141158 185.0
[M+H-H2O]+ 329.175260 175.2
[M+HCOO]- 391.176201 199.5
[M+CH3COO]- 405.191851 211.2
[M+Na-2H]- 367.152666 181.0
[M]+ 346.17745142 186.2
[M]- 346.17854858 186.2
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