CID 15937385

115142-66-0

Structural Information

Molecular Formula
C20H22O8
SMILES
C1=CC(=C(C(=C1)OCCOCCOCCOC2=CC=CC(=C2O)C=O)O)C=O
InChI
InChI=1S/C20H22O8/c21-13-15-3-1-5-17(19(15)23)27-11-9-25-7-8-26-10-12-28-18-6-2-4-16(14-22)20(18)24/h1-6,13-14,23-24H,7-12H2
InChIKey
ISEWYTMBYAEVRZ-UHFFFAOYSA-N
Compound name
3-[2-[2-[2-(3-formyl-2-hydroxyphenoxy)ethoxy]ethoxy]ethoxy]-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

390.13147 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.13875 187.2
[M+Na]+ 413.12069 193.1
[M-H]- 389.12419 190.9
[M+NH4]+ 408.16529 196.9
[M+K]+ 429.09463 190.5
[M+H-H2O]+ 373.12873 177.9
[M+HCOO]- 435.12967 208.2
[M+CH3COO]- 449.14532 215.2
[M+Na-2H]- 411.10614 188.9
[M]+ 390.13092 196.2
[M]- 390.13202 196.2
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