CID 3067200

80853-98-1

Structural Information

Molecular Formula
C25H24O2
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)C#C
InChI
InChI=1S/C25H24O2/c1-4-20-13-15-22(16-14-20)25(2,3)19-26-18-21-9-8-12-24(17-21)27-23-10-6-5-7-11-23/h1,5-17H,18-19H2,2-3H3
InChIKey
NHYPFBKLMXOBFS-UHFFFAOYSA-N
Compound name
1-ethynyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

356.17764 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18492 195.3
[M+Na]+ 379.16686 204.0
[M-H]- 355.17036 201.0
[M+NH4]+ 374.21146 205.8
[M+K]+ 395.14080 195.0
[M+H-H2O]+ 339.17490 179.9
[M+HCOO]- 401.17584 210.1
[M+CH3COO]- 415.19149 220.3
[M+Na-2H]- 377.15231 197.0
[M]+ 356.17709 191.5
[M]- 356.17819 191.5
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