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

literature stripe

Patent stripe

patents stripe