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

14
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 183.1
[M+Na]+ 359.14065 190.1
[M-H]- 335.14415 195.3
[M+NH4]+ 354.18525 195.6
[M+K]+ 375.11459 183.1
[M+H-H2O]+ 319.14869 172.1
[M+HCOO]- 381.14963 206.0
[M+CH3COO]- 395.16528 193.9
[M+Na-2H]- 357.12610 187.4
[M]+ 336.15088 182.5
[M]- 336.15198 182.5
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