CID 11677105

Trisodium resveratrol triphosphate

Structural Information

Molecular Formula
C14H15O12P3
SMILES
C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
InChI
InChI=1S/C14H15O12P3/c15-27(16,17)24-12-5-3-10(4-6-12)1-2-11-7-13(25-28(18,19)20)9-14(8-11)26-29(21,22)23/h1-9H,(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)/b2-1+
InChIKey
UXTPINQZWGCIFC-OWOJBTEDSA-N
Compound name
[4-[(E)-2-(3,5-diphosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

467.97763 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.984906 197.1
[M+Na]+ 490.966848 199.5
[M-H]- 466.970354 192.7
[M+NH4]+ 486.011453 171.2
[M+K]+ 506.940788 200.5
[M+H-H2O]+ 450.974890 182.9
[M+HCOO]- 512.975831 196.8
[M+CH3COO]- 526.991481 218.6
[M+Na-2H]- 488.952296 199.9
[M]+ 467.97708142 200.1
[M]- 467.97817858 200.1
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

patents stripe