CID 82012

4,4'-benzylidenedianisole

Structural Information

Molecular Formula
C21H20O2
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H20O2/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18/h3-15,21H,1-2H3
InChIKey
RIRAVPPUGSNYOU-UHFFFAOYSA-N
Compound name
1-methoxy-4-[(4-methoxyphenyl)-phenylmethyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

52
References

20212
Patents

304.14633 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.15361 173.6
[M+Na]+ 327.13555 190.6
[M+NH4]+ 322.18015 183.1
[M+K]+ 343.10949 180.9
[M-H]- 303.13905 181.4
[M+Na-2H]- 325.12100 186.0
[M]+ 304.14578 178.6
[M]- 304.14688 178.6
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