CID 157700

80854-21-3

Structural Information

Molecular Formula
C23H24O3
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)O
InChI
InChI=1S/C23H24O3/c1-23(2,19-11-13-20(24)14-12-19)17-25-16-18-7-6-10-22(15-18)26-21-8-4-3-5-9-21/h3-15,24H,16-17H2,1-2H3
InChIKey
VCQNNXOZNOPALT-UHFFFAOYSA-N
Compound name
4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

40
Patents

348.17255 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17983 185.6
[M+Na]+ 371.16177 191.0
[M-H]- 347.16527 193.4
[M+NH4]+ 366.20637 197.3
[M+K]+ 387.13571 186.0
[M+H-H2O]+ 331.16981 176.1
[M+HCOO]- 393.17075 205.5
[M+CH3COO]- 407.18640 211.2
[M+Na-2H]- 369.14722 190.0
[M]+ 348.17200 187.5
[M]- 348.17310 187.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe