CID 67427052

Schembl2490410

Structural Information

Molecular Formula
C22H22O3
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCO
InChI
InChI=1S/C22H22O3/c1-24-21-14-12-20(13-15-21)22(25-17-16-23,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,16-17H2,1H3
InChIKey
JOXFVFZKGOUGOT-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)-diphenylmethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

334.1569 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16418 181.0
[M+Na]+ 357.14612 185.9
[M-H]- 333.14962 188.6
[M+NH4]+ 352.19072 193.0
[M+K]+ 373.12006 181.1
[M+H-H2O]+ 317.15416 171.6
[M+HCOO]- 379.15510 201.3
[M+CH3COO]- 393.17075 207.1
[M+Na-2H]- 355.13157 186.7
[M]+ 334.15635 182.2
[M]- 334.15745 182.2
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