CID 85535889

111759-27-4

Structural Information

Molecular Formula
C22H18O4
SMILES
COC1=CC(=C(C=C1C2=CC=C(C=C2)C=O)OC)C3=CC=C(C=C3)C=O
InChI
InChI=1S/C22H18O4/c1-25-21-11-20(18-9-5-16(14-24)6-10-18)22(26-2)12-19(21)17-7-3-15(13-23)4-8-17/h3-14H,1-2H3
InChIKey
KWQZYZSJYJLLBI-UHFFFAOYSA-N
Compound name
4-[4-(4-formylphenyl)-2,5-dimethoxyphenyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

346.1205 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.127776 181.2
[M+Na]+ 369.109718 190.3
[M-H]- 345.113224 191.6
[M+NH4]+ 364.154323 194.3
[M+K]+ 385.083658 185.6
[M+H-H2O]+ 329.117760 171.4
[M+HCOO]- 391.118701 205.2
[M+CH3COO]- 405.134351 214.5
[M+Na-2H]- 367.095166 183.7
[M]+ 346.11995142 186.4
[M]- 346.12104858 186.4
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