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]+ 347.12778 181.2
[M+Na]+ 369.10972 190.3
[M-H]- 345.11322 191.6
[M+NH4]+ 364.15432 194.3
[M+K]+ 385.08366 185.6
[M+H-H2O]+ 329.11776 171.4
[M+HCOO]- 391.11870 205.2
[M+CH3COO]- 405.13435 214.5
[M+Na-2H]- 367.09517 183.7
[M]+ 346.11995 186.4
[M]- 346.12105 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