CID 157010306

(e)-3-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(e)-3-oxobut-1-enyl]phenyl]-5-methoxyphenyl]prop-2-enoic acid

Structural Information

Molecular Formula
C21H20O7
SMILES
CC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)C2=C(C(=CC(=C2)/C=C/C(=O)O)OC)O
InChI
InChI=1S/C21H20O7/c1-12(22)4-5-13-8-15(20(25)17(10-13)27-2)16-9-14(6-7-19(23)24)11-18(28-3)21(16)26/h4-11,25-26H,1-3H3,(H,23,24)/b5-4+,7-6+
InChIKey
ZDBNUDZJHFAAIN-YTXTXJHMSA-N
Compound name
(E)-3-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-3-oxobut-1-enyl]phenyl]-5-methoxyphenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1209 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12818 186.8
[M+Na]+ 407.11012 194.1
[M-H]- 383.11362 190.2
[M+NH4]+ 402.15472 196.7
[M+K]+ 423.08406 190.0
[M+H-H2O]+ 367.11816 179.1
[M+HCOO]- 429.11910 204.2
[M+CH3COO]- 443.13475 215.8
[M+Na-2H]- 405.09557 183.7
[M]+ 384.12035 191.1
[M]- 384.12145 191.1
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.