CID 16678087

Bnc-105p free acid

Structural Information

Molecular Formula
C20H21O10P
SMILES
CC1=C(C2=C(O1)C(=C(C=C2)OC)OP(=O)(O)O)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C20H21O10P/c1-10-16(17(21)11-8-14(26-3)19(28-5)15(9-11)27-4)12-6-7-13(25-2)20(18(12)29-10)30-31(22,23)24/h6-9H,1-5H3,(H2,22,23,24)
InChIKey
MYDHDVLPMRNDAZ-UHFFFAOYSA-N
Compound name
[6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

197
Patents

452.08722 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.09450 199.4
[M+Na]+ 475.07644 210.1
[M+NH4]+ 470.12104 201.9
[M+K]+ 491.05038 210.6
[M-H]- 451.07994 199.9
[M+Na-2H]- 473.06189 200.8
[M]+ 452.08667 200.7
[M]- 452.08777 200.7
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