CID 360385

Tris(4oh-3meocoph)coh

Structural Information

Molecular Formula
C25H22O10
SMILES
COC(=O)C1=C(C=CC(=C1)C(C2=CC(=C(C=C2)O)C(=O)OC)(C3=CC(=C(C=C3)O)C(=O)OC)O)O
InChI
InChI=1S/C25H22O10/c1-33-22(29)16-10-13(4-7-19(16)26)25(32,14-5-8-20(27)17(11-14)23(30)34-2)15-6-9-21(28)18(12-15)24(31)35-3/h4-12,26-28,32H,1-3H3
InChIKey
PYBWMVOTCMEAJR-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-5-[hydroxy-bis(4-hydroxy-3-methoxycarbonylphenyl)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

482.1213 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.12858 207.1
[M+Na]+ 505.11052 211.5
[M-H]- 481.11402 212.2
[M+NH4]+ 500.15512 211.0
[M+K]+ 521.08446 211.2
[M+H-H2O]+ 465.11856 197.8
[M+HCOO]- 527.11950 220.3
[M+CH3COO]- 541.13515 230.8
[M+Na-2H]- 503.09597 205.1
[M]+ 482.12075 211.9
[M]- 482.12185 211.9
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.