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

148
Patents

467.97763 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.98491 197.1
[M+Na]+ 490.96685 199.5
[M-H]- 466.97035 192.7
[M+NH4]+ 486.01145 171.2
[M+K]+ 506.94079 200.5
[M+H-H2O]+ 450.97489 182.9
[M+HCOO]- 512.97583 196.8
[M+CH3COO]- 526.99148 218.6
[M+Na-2H]- 488.95230 199.9
[M]+ 467.97708 200.1
[M]- 467.97818 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