CID 471115

65171-00-8

Structural Information

Molecular Formula
C20H22O8
SMILES
COC1=C(C(=C(C(=C1)C=O)C2=C(C(=C(C=C2C=O)OC)OC)OC)OC)OC
InChI
InChI=1S/C20H22O8/c1-23-13-7-11(9-21)15(19(27-5)17(13)25-3)16-12(10-22)8-14(24-2)18(26-4)20(16)28-6/h7-10H,1-6H3
InChIKey
HIHMOJNIGUGNOB-UHFFFAOYSA-N
Compound name
2-(6-formyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

390.13147 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.13875 184.5
[M+Na]+ 413.12069 194.9
[M-H]- 389.12419 192.7
[M+NH4]+ 408.16529 196.9
[M+K]+ 429.09463 194.5
[M+H-H2O]+ 373.12873 175.8
[M+HCOO]- 435.12967 208.4
[M+CH3COO]- 449.14532 225.2
[M+Na-2H]- 411.10614 184.6
[M]+ 390.13092 198.9
[M]- 390.13202 198.9
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

No patent data available for this compound.