CID 513222

2,4(1h,3h)-pyrimidinedione, 5-methyl-1-[(2r,5s)-tetrahydro-5-[[(8-methyl-2-oxido-4h-1,3,2-benzodioxaphosphin-2-yl)oxy]methyl]-2-furanyl]-

Structural Information

Molecular Formula
C18H21N2O7P
SMILES
CC1=C2C(=CC=C1)COP(=O)(O2)OC[C@@H]3CC[C@@H](O3)N4C=C(C(=O)NC4=O)C
InChI
InChI=1S/C18H21N2O7P/c1-11-4-3-5-13-9-24-28(23,27-16(11)13)25-10-14-6-7-15(26-14)20-8-12(2)17(21)19-18(20)22/h3-5,8,14-15H,6-7,9-10H2,1-2H3,(H,19,21,22)/t14-,15+,28?/m0/s1
InChIKey
OZZXOUBEEJVMRP-BIGJLOMDSA-N
Compound name
5-methyl-1-[(2R,5S)-5-[(8-methyl-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.10864 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.11592 192.9
[M+Na]+ 431.09786 201.1
[M-H]- 407.10136 200.8
[M+NH4]+ 426.14246 200.9
[M+K]+ 447.07180 201.3
[M+H-H2O]+ 391.10590 181.5
[M+HCOO]- 453.10684 211.2
[M+CH3COO]- 467.12249 220.4
[M+Na-2H]- 429.08331 191.7
[M]+ 408.10809 196.4
[M]- 408.10919 196.4
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.