CID 372289

Nsc647347

Structural Information

Molecular Formula
C18H18O6
SMILES
COC1=C(C=C(C(=C1)C=O)C2=CC(=C(C=C2C=O)OC)OC)OC
InChI
InChI=1S/C18H18O6/c1-21-15-5-11(9-19)13(7-17(15)23-3)14-8-18(24-4)16(22-2)6-12(14)10-20/h5-10H,1-4H3
InChIKey
LCUJDGQKKNLFOJ-UHFFFAOYSA-N
Compound name
2-(2-formyl-4,5-dimethoxyphenyl)-4,5-dimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.11035 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11763 171.7
[M+Na]+ 353.09957 181.8
[M-H]- 329.10307 179.6
[M+NH4]+ 348.14417 186.3
[M+K]+ 369.07351 180.0
[M+H-H2O]+ 313.10761 163.5
[M+HCOO]- 375.10855 196.2
[M+CH3COO]- 389.12420 212.1
[M+Na-2H]- 351.08502 173.8
[M]+ 330.10980 181.8
[M]- 330.11090 181.8
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

No patent data available for this compound.