CID 337507

Nsc355705

Structural Information

Molecular Formula
C17H19N2O7P
SMILES
CC1=CN(C(=O)NC1=O)C2CC3C(O2)COP(=O)(O3)OCC4=CC=CC=C4
InChI
InChI=1S/C17H19N2O7P/c1-11-8-19(17(21)18-16(11)20)15-7-13-14(25-15)10-24-27(22,26-13)23-9-12-5-3-2-4-6-12/h2-6,8,13-15H,7,9-10H2,1H3,(H,18,20,21)
InChIKey
CHBRPUPATVGUIV-UHFFFAOYSA-N
Compound name
5-methyl-1-(2-oxo-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.093 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.10028 187.8
[M+Na]+ 417.08222 195.6
[M-H]- 393.08572 195.4
[M+NH4]+ 412.12682 196.0
[M+K]+ 433.05616 195.9
[M+H-H2O]+ 377.09026 176.3
[M+HCOO]- 439.09120 206.4
[M+CH3COO]- 453.10685 216.1
[M+Na-2H]- 415.06767 187.7
[M]+ 394.09245 190.5
[M]- 394.09355 190.5
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.