CID 213713

26954-85-8

Structural Information

Molecular Formula
C20H22O7
SMILES
COC1=C(C=C(C=C1)CC(=O)C2=CC(=C(C=C2CC(=O)O)OC)OC)OC
InChI
InChI=1S/C20H22O7/c1-24-16-6-5-12(8-17(16)25-2)7-15(21)14-11-19(27-4)18(26-3)9-13(14)10-20(22)23/h5-6,8-9,11H,7,10H2,1-4H3,(H,22,23)
InChIKey
MGTCSBXFQWXQDZ-UHFFFAOYSA-N
Compound name
2-[2-[2-(3,4-dimethoxyphenyl)acetyl]-4,5-dimethoxyphenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

3
Patents

374.13657 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14385 184.2
[M+Na]+ 397.12579 191.2
[M-H]- 373.12929 190.0
[M+NH4]+ 392.17039 195.6
[M+K]+ 413.09973 190.0
[M+H-H2O]+ 357.13383 175.7
[M+HCOO]- 419.13477 204.6
[M+CH3COO]- 433.15042 218.4
[M+Na-2H]- 395.11124 183.2
[M]+ 374.13602 192.9
[M]- 374.13712 192.9
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