CID 270557

111033-72-8

Structural Information

Molecular Formula
C20H24O7
SMILES
COC1=C(C=C(C=C1)C(CC(=O)O)C2=CC(=C(C(=C2)OC)OC)OC)OC
InChI
InChI=1S/C20H24O7/c1-23-15-7-6-12(8-16(15)24-2)14(11-19(21)22)13-9-17(25-3)20(27-5)18(10-13)26-4/h6-10,14H,11H2,1-5H3,(H,21,22)
InChIKey
GUSXBPIONWQUKJ-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

376.1522 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.159476 185.7
[M+Na]+ 399.141418 192.4
[M-H]- 375.144924 191.5
[M+NH4]+ 394.186023 197.1
[M+K]+ 415.115358 191.8
[M+H-H2O]+ 359.149460 177.1
[M+HCOO]- 421.150401 205.9
[M+CH3COO]- 435.166051 219.1
[M+Na-2H]- 397.126866 184.7
[M]+ 376.15165142 195.1
[M]- 376.15274858 195.1
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