CID 561895

2-butanol, 1,3,4-tri(benzyloxy)

Structural Information

Molecular Formula
C25H28O4
SMILES
C1=CC=C(C=C1)COCC(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)O
InChI
InChI=1S/C25H28O4/c26-24(19-27-16-21-10-4-1-5-11-21)25(29-18-23-14-8-3-9-15-23)20-28-17-22-12-6-2-7-13-22/h1-15,24-26H,16-20H2
InChIKey
WVWVUGTXNHSGNC-UHFFFAOYSA-N
Compound name
1,3,4-tris(phenylmethoxy)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.19876 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.206036 197.4
[M+Na]+ 415.187978 198.7
[M-H]- 391.191484 203.7
[M+NH4]+ 410.232583 206.2
[M+K]+ 431.161918 194.4
[M+H-H2O]+ 375.196020 186.6
[M+HCOO]- 437.196961 216.3
[M+CH3COO]- 451.212611 217.8
[M+Na-2H]- 413.173426 199.0
[M]+ 392.19821142 199.7
[M]- 392.19930858 199.7
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

No patent data available for this compound.