CID 4384447

Methyl triphenylphenyl ether

Structural Information

Molecular Formula
C25H20O
SMILES
COC1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H20O/c1-26-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21/h2-18H,1H3
InChIKey
ROEBIHQCMZBUOW-UHFFFAOYSA-N
Compound name
2-methoxy-1,3,5-triphenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

336.15143 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15871 184.5
[M+Na]+ 359.14065 204.8
[M+NH4]+ 354.18525 195.1
[M+K]+ 375.11459 192.3
[M-H]- 335.14415 195.6
[M+Na-2H]- 357.12610 200.2
[M]+ 336.15088 191.2
[M]- 336.15198 191.2
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