CID 388157

Nsc682721

Structural Information

Molecular Formula
C19H19O6P
SMILES
COC1=C(OC2=C(C=CC=C2C1=O)CP(=O)(OC)OC)C3=CC=CC=C3
InChI
InChI=1S/C19H19O6P/c1-22-19-16(20)15-11-7-10-14(12-26(21,23-2)24-3)17(15)25-18(19)13-8-5-4-6-9-13/h4-11H,12H2,1-3H3
InChIKey
JYIDRZCWGQCXLJ-UHFFFAOYSA-N
Compound name
8-(dimethoxyphosphorylmethyl)-3-methoxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.09192 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.09920 186.7
[M+Na]+ 397.08114 195.4
[M-H]- 373.08464 194.4
[M+NH4]+ 392.12574 198.9
[M+K]+ 413.05508 194.5
[M+H-H2O]+ 357.08918 175.5
[M+HCOO]- 419.09012 212.8
[M+CH3COO]- 433.10577 218.1
[M+Na-2H]- 395.06659 190.3
[M]+ 374.09137 195.6
[M]- 374.09247 195.6
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.